|
Based in part on the hypothetical protein MPN555
[Schulze-Gahmen, U., Aono, S., Chen, S., Yokota, H., Kim, R. & Kim, S.-H.
(2005). Structure of the hypothetical Mycoplasma protein MPN555 suggests
a chaperone function. Acta Cryst. D61, 1343-1347;
1ZXJ].
In the example below, the items in gray
are identifiers and qualifiers needed to preserve the mmCIF data
structure (and auto-generated during the deposition procedure), or
other data items stored in the same category in a PDB deposition, but
not normally published in the journal.
How this example will appear in the journal
|
| Table 2. Data collection
|
| Values for the outer shell are given in parentheses.
|
|
|
|
| Diffraction protocol
|
Single wavelength
|
| Diffraction source
|
Synchrotron; BESSY (Berlin) BL2
|
| Collimation
|
Si(111) double-crystal monochromator
|
| Wavelength (Å)
|
1.000
|
| Detector type
|
Image plate (MAR 345)
|
| Temperature (K)
|
100.0 (15)
|
| Total measuring time (s)
|
3960
|
| No. of images
|
270
|
| Resolution range (Å)
|
30.0-1.68 (1.80-1.68)
|
| No. of unique reflections
|
35516 (3444)
|
| Completeness (%)
|
96.8 (99.0)
|
| Redundancy
|
4.42 (3.33)
|
| < I/σ(I) > overall and by shell
|
13.7 (3.1)
|
| Resolution determined at < I/σ(I) > = 2 (Å)
|
1.80
|
| Rmerge overall and by shell
|
0.069 (0.44)
|
| Software used
|
DENZO, SCALEPACK (Otwinoski & Minor, 1997)
|
|
|
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