Table 2. Structure solution and refinement.

Values in parentheses are for the outer shell.

PDB code	4wld	4wlt	4wlx	4wly	4wm1	4wm2	4wm3	4wm4	4wm5	4wm6	4xen
Pressure (MPa)	0.1	190	280	380	500	600	710	800	890	950	920
No. of reflections, working set	16667	15188	15164	13435	14528	14593	15945	14276	14298	30495	15797
No. of reflections, test set	896	800	794	716	762	766	851	752	758	1606	839
R work † (%)	14.51	15.30	15.18	15.45	16.01	15.53	18.14	16.76	16.30	19.92	16.40
R free ‡ (%)	17.42	19.70	19.31	19.38	20.80	20.09	25.91	22.38	21.67	28.45	20.94
Cruickshank DPI	0.07	0.08	0.08	0.10	0.09	0.09	0.09	0.10	0.09	0.24	0.09
No. of non-H atoms
Protein	1009	1031	1031	1031	1020	1025	1023	1032	1026	4013	1063
Ligand/ion	1	7	7	7	7	5	4	5	5	4	62
Water	100	118	129	135	142	144	149	164	171	615	172
Total	1110	1156	1167	1173	1169	1174	1176	1201	1202	4632	1297
B factor (2)
Protein	25.14	18.79	16.99	19.32	17.63	14.65	16.76	15.74	16.28	17.38	11.92
Ligand/ion	39.51	37.17	34.76	34.14	29.83	27.80	22.17	29.27	28.95	29.56	23.32
Water	38.72	33.21	32.34	34.41	33.10	28.64	29.78	30.53	30.31	24.16	27.08
R.m.s.d. from ideality
Bond lengths ()	0.024	0.024	0.024	0.024	0.025	0.022	0.022	0.025	0.023	0.015	0.021
Bond angles ()	2.166	2.151	2.146	2.099	2.157	2.132	2.132	2.011	2.036	1.728	2.202
Ramachandran plot
Most favoured (%)	99	99	98	98	98	98	98	98	98	96	97
Allowed (%)	1	1	2	2	2	2	2	2	2	4	3

^† R _work is defined as .

^‡ R _free is calculated using 5% of the data that were randomly chosen and excluded from the refinement.