Determinants of Backbone Packing in Globular Proteins: an Analysis of Spatial Neighbours

The pattern and variability of backbone packing density in protein structures are examined. An interesting correlation between the average percentage composition of amino acids and the percentage composition in regions corresponding to different levels of packing density has been observed.

Comparison of Ternary Complexes of Pneumocystis carinii and Wild-Type Human Di­hydrofolate Reductase with Coenzyme NADPH and a Novel Classical Antitumor Furo[2,3-d]pyrimidine Antifolate

The novel furopyrimidine antifolate (MTXO) has been studied as inhibitor-reduction ternary complexes with Pneumocystis carnii and with recombinant human wild-type dihydrofolate reductase. There is a significant change in the nicotinamide ribose conformation of pcDHFR resulting in a close 4NH₂ inhibitor-O contact not found in human DHFR.

X-ray Structure of Turkey-Egg Lysozyme Complex with Tri-N-acetylchitotriose. Lack of Binding Ability at Subsite A

X-ray structure of turkey egg-white lysozyme complex with tri-N-acetylchitotriose revealed the lack of protein-sugar contact at subsite A. The result indicates the crucial role of the subsite A in regulating the cleavage pattern of oligosaccharides in the catalytic form.

Structure of Cytochrome c' from Rhodobacter capsulatus Strain St Louis: An Unusual Molecular Association Induced by Bridging Zn Ions

An unusual molecular association is induced in cytochrome c^' from Rhodobacter capsulatus strain St Louis by bridging Zn ions.

Polyalanine Reconstruction from Cα Positions Using the Program CALPHA Can Aid Initial Phasing of Data by Molecular Replacement Procedures

C ALPHA, a program for rebuilding protein structures from C α traces is described and its accuracy assessed from test reconstructions. Uses of the program are considered and in particular the use of such a reconstruction to aid the initial phasing of a data set using a molecular replacement procedure is examined in detail.

New Techniques for Applying Anomalous-Scattering and Isomorphous-Replacement Data Incorporated in ANOMIR – a General Application Package

A program ANOMIR is described which derives phases from anomalous scattering and/or isomorphous replacement data and contains a number of new features and techniques.

Experiences from the Structure Determination of Human Cytomegalovirus Protease

Experiences from the structure determination of HCMV protease may prove useful to the solution of other protein structures.

Lysozyme Aggregation Studied by Light Scattering. I. Influence of Concentration and Nature of Electrolytes

Static and dynamic light scattering were employed to investigate the behaviour of lysozyme solutions when varying the concentration of two different electrolytes for screening the repulsive forces between the monomers. Mass fractals coexist with monomers and small lysozyme oligomers in these solutions. Based on the correlations between the various observables we attempt to predict the long-term fate of the nucleating solutions.

Lysozyme Aggregation Studied by Light Scattering. II. Variations of Protein Concentration

We have employed static and dynamic light scattering to investigate the behaviour of nucleating lysozyme solutions which form mass fractals coexisting with monomers or small lysozyme oligomers. Based on tentative correlations between the observables we attempt to predict whether the examined solutions will crystallize or not.

Structure of Monellin Refined to 2.3 Å Resolution in the Orthorhombic Crystal Form

The structure of orthorhombic crystals of monellin, a sweet protein extracted from African serendipity berries, has been solved by molecular replacement and refined to 2.3 Å resolution. The structure was compared with those of monoclinic and single-chain monellin, showing little influence of crystal packing forces.

Crystals of the Carotenoid Protein from Arthrospira maxima Containing Uniformly Oriented Pigment Molecules

Crystals have been grown of a cyanobacterial pigment protein that only binds carotenoid and may serve a photoprotective role.

Comparative Analysis of Thaumatin Crystals Grown on Earth and in Microgravity

Crystals of the sweet protein thaumatin grown in a microgravity environment have a larger volume and are less in number than earth-grown controls prepared in parallel. Their diffraction properties are improved they diffract X-rays to a higher resolution and their mosaicity is significantly lower.

The Ultimate Wavelength for Protein Crystallography?

This paper describes an analysis of the optimum choice of the X-ray wavelength for macromolecular diffraction data collection.

Resolution of Space-Group Ambiguity and Structure Determination of Nodamura Virus to 3.3 Å resolution from Pseudo-R32 (Monoclinic) Crystals

The space-group ambiguity in monoclinic nodamura virus crystals has been resolved and the structure determined to 3.3 Å resolution.

CCD Video Observation of Microgravity Crystallization of Lysozyme and Correlation with Accelerometer Data

Stepped growth rates and crystal movements have been observed by CCD video in microgravity lysozyme protein crystallization experiments which correlate with `g-jitter' accelerations, especially of low frequencies. The spurts and lulls of crystal growth may, therefore, explain the residual mosaic block structure seen in protein crystal mosaicity and topography measurements.

Probing the Limits of the Molecular Replacement Method: the Case of Trypanosoma brucei Phosphoglycerate Kinase

The structure determination for Trypanosoma brucei phosphoglycerate kinase ternary complex relied on a unique protocol in which search probes containing as little as 8.4% of the scattering mass were sequentially positioned in the unit cell to obtain phases.

The Effects of Metal Binding on a Nucleobase: the Experimental Charge Density and Electrostatic Potential in 1H⁺-Adeniniumtri­chlorozinc(II) at 123 K and its Relationship to that in Adenine Hydrochloride Hemihydrate

The results of an experimental charge density analysis of 1H⁺-adeniniumtrichlorozinc(II) are reported and compared with results from a similar study of adenine hydrochloride hemihydrate published earlier. It is shown that the dimensions of the imidazole ring are significantly perturbed upon complexation, the lone-pair at N7 is not coplanar with the base and positive electrostatic potential in the complexed base extends further from the molecule. Some consequences of these changes are discussed.

A new crystal form of penicillin acylase from Escherichia coli

The use of ethylene glycol as an additive in the crystallization of penicillin acylase results in a new crystal form in the monoclinic space group P2₁.

Crystallization of an antitumour antibody SM3 complexed with a peptide epitope

Crystals of the Fab fragment of the SM3 antibody complexed with the peptide epitope were obtained in space group P2₁. Crystals diffract up to 1.9 Å resolution.

Crystallization and preliminary X-ray analysis of the Saccharomycopsis fibuligera glucoamylase expressed from the GLU1 gene in Escherichia coli

Recombinant glucoamylase from Saccharomycopsis fibuligera has been crystallized. The crystals are orthorhombic, space group P2₁2₁2₁ with cell dimensions a = 58.1, b = 87.8 and c = 99.9 Å and diffract to 1.7 Å resolution.

Crystallization and preliminary X-ray diffraction studies of the Saccharomyces cerevisiae phospholipid-transfer protein Sec14p

The S. cerevisiae phospholipid transfer protein Sec14p has been purified and crystallized. Native data and dat from two heavy-atom derivatives have been collected.

Crystallization and preliminary crystallographic studies on the mannose-specific lectin from garlic

A mannose-specific lectin from the bulbs of garlic has been crystallized. Preliminary crystallographic studies including structure solution using molecular replacement have been carried out.

A weighted rotation function

A simple method is proposed to discriminate the intermolecular vectors in the cross rotation function, which can be incorporated into existing molecular replacement packages.

A new iterative procedure for combining direct methods with solvent flattening – dealing with the phase ambiguity in protein crystallography

An iterative procedure for combining direct methods with the solvent-flattening technique is proposed. The new procedure has been compared with other procedures using experimental protein data.

Crystallization of chicken egg-white lysozyme from ammonium sulfate

Chicken egg-white lysozyme has been shown to be readily crystallizable in both the tetragonal and orthorhombic forms by ammonium sulfate over the pH range 4.0-7.8.

Crystallization and preliminary X-ray analysis of me­thionine aminopeptidase from the hyperthermophilic bacterium Pyrococcus furiosus

A human type methionine aminopeptidase from hyperthermophilic bacteria has been crystallized in four different forms.

Crystallization and preliminary X-ray diffraction analysis of the hetero­tetrameric di­hydroorotate de­hydrogenase B of Lactococcus lactis, a flavoprotein enzyme system consisting of two PyrDB subunits and two iron–sulfur cluster containing PyrK subunits

The heterotetrameric dehydrogenase B from Lactococcus lactis has been crystallized. Diffraction data have been collected to 2.2 Å resolution.

Structure of the calcium-binding echidna milk lysozyme at 1.9 Å Resolution. Erratum

Erratum to Acta Cryst. (1997). D53, 355-363.

Collected works of Dorothy Crowfoot Hodgkin. Vol. I. Insulin. Vol. II. Cholestrol, penicillin and other antibiotics. Vol. III. General crystallography and essays edited by G. G. Dodson, J. P. Glusker, S. Ramaseshan and K. Venkatesan

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