Table 2.

Refinement statistics

	Apoenzyme*	C2:FMNH−*	C2:FMNH−:HPA*
Resolution, Å	2.3	2.8	2.8
R-factor†	0.218 (0.323)	0.250 (0.346)	0.217 (0.282)
Rfree†	0.235 (0.347)	0.287 (0.376)	0.235 (0.297)
No. of nonhydrogen protein atoms	12,472	12,516	12,516
No. of water molecules	375	—	26
No. of substrate atoms	—	—	4 × 11
No. of FMNH− atoms	—	4 × 31	4 × 31
Rmsd bond length, Å°	0.010	0.015	0.009
Rmsd bond angle,‡ °	1.08	1.39	1.08
Ramachandran plot§
Most favorable region, %	92.3	91.6	91.8
Disallowed regions, %	0.0	0.1	0.1

*No electron density has been detected for residues 1–23; solvent-exposed loops corresponding to residues 30–39, 187–191, and 293–302 are unstructured.

^†R_factor = Σ‖F_obs | − | F_calc‖/Σ | F_obs |. R_free is the R_factor value for 5% of the reflections excluded from the refinement. Data for the highest resolution shell are given in parentheses.

^‡Rms deviations from ideal values calculated with REFMAC5 (38).

^§Figures from PROCHECK (39).