Table 1. X-ray data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Crystal | 1 | 2 | 2 | 2 | 3 |
|---|---|---|---|---|---|
| ESRF beamline | ID14-4 | BM30a | BM30a | BM30a | BM30a |
| λ (Å) | 0.939 | 1.739 | 1.741 | 1.283 | 1.040 |
 /
|
— | −6.2/6.4 (Fe) | −9.3/2.9 (Fe) | −9.7/7.5 (Zn) | −17.5/10.2 (Au) |
| Resolution (Å) | 20–1.85 | 25–2.89 | 25–2.88 | 47–2.54 | 47–2.50 |
| No. of observations | 547170 | 128429 | 115555 | 187987 | 448864 |
| Unique reflections | 270649 | 36128 | 35331 | 53181 | 59196 |
| Completeness (%) | 97.5 (92.1) | 94.5 (71.7) | 92.9 (68) | 94.6 (72.9) | 99.9 (99.8) |
| 〈I/σ(I)〉 | 8.6 (3.0) | 10.7 (2.7) | 7.7 (1.6) | 11.1 (3.3) | 13.3 (5.9) |
| Rsym† (%) | 6.0 (26.2) | 9.5 (33.6) | 13.6 (55.7) | 7.9 (23.1) | 12.5 (34.8) |
| Rmeas† (%) | 8.0 (35.0) | 11.1 (44.4) | 16.1 (74.4) | 9.2 (30.6) | 13.5 (37.5) |
†
R
sym = R
merge = 
and R
meas = 
, where 
(Diederichs & Karplus, 1997 ▶).