Figure 3.

Spheres of crystallographic symmetry-related molecules used to analyze packing in the P3₁21 crystal. A 100 Å sphere of crystallographic symmetry mates was generated in Coot from (a) the six copies chosen from the molecular-replacement solution set obtained from Phaser and (b) after manually placing the final two copies in the asymmetric unit. The copies in the model are shown in purple and symmetry mates are shown in cyan. (c) The final model contains eight copies in three unique orientations. Molecules related by pseudo-translational symmetry are shown in the same color. (d, e) Representative density is shown from a 2F _o − F _c composite OMIT map calculated from the six-copy solution set chosen from Phaser drawn for a 2.0 Å region around the FMN molecule which was excluded from the search model and map calculation for (d) a copy located by Phaser and (e) a copy placed manually. (f) Representative density from a 2F _o − F _c σ_A-weighted map calculated in Phenix is shown for the final model.