Table 1.
Data collection and refinement statistics
| nativea | native_aniso | KAu(CN)2 | Na2WO4 | KI | |
|---|---|---|---|---|---|
| Data Collection | |||||
| Wavelength (Å) | 1.00 (LS-CAT) | 1.00 (LS-CAT) | 1.00 (LS-CAT) | 1.21 (GM/CA-CAT) | 1.721 (GM/CA-CAT) |
| Resolution (Å) | 50-2.5 (2.59-2.5) | 40.8-2.34 (3.03-2.34) | 50-4.1 (4.25-4.1) | 40.0-5.50 (5.80-5.50) | 50-3.8 (3.94-3.8) |
| Rsymb,c | 0.066 (0.281) | 0.035 (0.23) | 0.118 (0.378) | 0.157 (0.499) | 0.140 (0.433) |
| I/σI | 32 (3.8) | 20.4 (5.6) | 4.0 (1.9) | 25.7 (8.2) | |
| Completeness (%)b | 97.6 (87.7) | 81.6 (18.0) | 99.1 (95.9) | 98.1 (99.2) | 99.7 (100) |
| Redundancy | 10.8 (6.4) | 12.0 (9.8) | 11.2 (7.9) | 10.6 (7.8) | |
| Refinement | |||||
| Resolution (Å) | 104-2.34 | ||||
| No. reflections | 16150 | ||||
| Rworkd / Rfreee | 0.252/0.282 | ||||
| No. atoms | |||||
| Protein | 1793 | ||||
| Ligand/ion | 53 | ||||
| Water | 59 | ||||
| Average B-factor | 57.4 | ||||
| R.m.s deviations | |||||
| Bond lengths (Å) | 0.008 | ||||
| Bond angles (°) | 1.645 |
a
native and native_aniso are the same crystal
b
Rsym = Σ| Iobs - Iav|/ ΣFobs, where the summation is over all reflections
c
Values in parentheses refer to the highest-resolution shell
d
Rwork = Σ| Fobs - Fcalc| / ΣFobs
e
For calculation of Rfree, 5 % of the reflections were reserved.