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Figure 6
(a) Specific radiation damage to the myrosinase crystal as reported by Burmeister (2000BB3). Fobs(4) − Fobs(1) difference map, contoured at ±3σ, overlaid on the initial coordinate model (PDB accession code: 1dwa). A secondary Tyr-330 side-chain conformation (occupancy: 50%) has been built into the positive Fobs(4) − Fobs(1) difference density manually using COOT. (b) Occupancy of primary and secondary Tyr-330 conformation after occupancy refinement (in phenix.refine, with atomic B-factors held constant) of the model pertaining to each successive dataset in the damage series. Doses were originally quoted in units of photons mm−2; diffraction weighted doses (DWD) (Zeldin, Brockhauser et al., 2013BB58) have been calculated in RADDOSE-3D (Zeldin, Gerstel et al., 2013BB53) for this damage series using crystal composition (heavy atom content, crystal size) and beam characteristics (energy, flux, exposure time and collimation) as supplied by Burmeister (2000BB3).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 24| Part 1| January 2017| Pages 7-18
https://doi.org/10.1107/S1600577516016775
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