Table 2.

Refinement statistics

	Wild type	Reduced form	Gabaculine complex
No. of protein atoms	6,255	6,255	6,255
No. of water molecules	347	285	166
rms deviation from
Ideal distances (1-2), Å	0.009	0.011	0.012
Ideal bond angles, °	1.76	1.85	1.98
Residues in most favored
regions of Ramachandran plot, %	89.4	89.3	88.8
Mean B-factor
Protein atoms, Å2	29.6	28.4	33.2
Water molecules, Å2	41.6	37.2	28.0
R-factor*
Working set	0.183	0.187	0.159
Test set, 5% of data	0.250	0.264	0.250

^*R-factor = Σ_hkl |F(hkl)_o − F(hkl)_c|/Σ_hklF(hkl)_o.