Table 3. Crystallographic refinement statistics.

Values in parentheses are for the highest resolution shell.

Structure	D07	E01	E05	B06	B04	H04	C11	C08
PDB code	8s47	8s46	8s45	8s49	8s4a	8s4c	8s48	8s4b
Resolution range (Å)	46.04–2.11	45.84–1.99	39.72–1.69	45.71–1.70	45.54–2.23	45.61–1.80	35.74–1.65	45.58–2.15
Reflections used, refinement	41687 (2736)	44268 (2726)	74809 (2708)	73647 (2829)	31404 (2885)	65236 (2875)	79766 (2847)	36122 (2755)
Reflections used for R free	2083 (139)	2219 (146)	3748 (137)	3698 (142)	1572 (142)	3278 (147)	3989 (145)	1801 (126)
R work	0.2059 (0.4197)	0.2247 (0.4747)	0.1964 (0.5552)	0.1974 (0.5124)	0.2008 (0.3377)	0.2015 (0.4860)	0.1908 (0.5033)	0.2400 (0.4334)
R free	0.2402 (0.5195)	0.2587 (0.4941)	0.2357 (0.6358)	0.2207 (0.4554)	0.2436 (0.3930)	0.2268 (0.5125)	0.2187 (0.5334)	0.2774 (0.4832)
No. of non-H atoms
Total	2495	2418	2604	2532	2485	2576	2674	2415
Macromolecules	2366	2344	2416	2383	2332	2414	2428	2326
Ligands	38	13	17	14	33	11	19	12
Solvent	91	61	171	135	120	151	227	77
Protein residues	308	305	310	308	304	314	311	302
R.m.s.d., bond lengths (Å)	0.002	0.002	0.010	0.009	0.003	0.004	0.008	0.002
R.m.s.d., angles (°)	0.42	0.49	0.93	0.97	0.54	0.70	0.83	0.42
Ramachandran favored (%)	98.68	99.34	99.35	98.68	97.67	99.35	98.37	96.64
Ramachandran allowed (%)	1.32	0.66	0.65	1.32	2.33	0.65	1.63	3.36
Ramachandran outliers (%)	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
Rotamer outliers (%)	2.65	1.14	1.11	1.12	0.00	0.37	1.84	2.30
Clashscore	1.65	2.52	2.45	3.10	2.31	1.22	2.84	1.06
Average B factor (Å2)
Overall	62.68	60.48	43.22	47.51	50.42	54.82	44.81	53.12
Macromolecules	62.40	60.57	43.07	47.22	50.21	54.48	44.45	53.31
Ligands	77.62	65.78	41.50	53.99	64.16	80.38	48.22	45.93
Solvent	63.74	56.01	45.50	51.97	50.88	58.50	48.36	48.49