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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).