Table 1 X-ray data collection and refinement statistics.
Data collection | Native | KAu(CN) 2 derivative |
|---|---|---|
X ray wavelength (Ã…) | 1.5418 | 1.5418 |
Space group | P43212 | P43212 |
Cell dimensions (Ã…) | ||
 a, b, c (Å) | 60.87, 60.87, 126.9 | 61, 61, 126.95 |
 α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
 Resolution (Å) | 1.75 | 2.03 |
 Rmerge total (final shell) (%) | 5.7 (43.3) | 7.1 (54.8) |
 I/σI total (final shell) | 61.2 (2.1) | 76.5 (3.6) |
 Completeness total (final shell) (%) | 96.6 (80.1) | 96.4 (85.1) |
 Redundancy | 25.8 | 46.2 |
Refinement | ||
 Resolution (Å) | 1.75 | 2.03 |
 No. of reflections | 24,031 | 15,512 |
 Rwork/Rfree (%) | 19.7/23.9 | 19.1/23.5 |
No. of atoms | ||
 Protein (non-H atoms) | 1,545 | 1,465 |
 Gold (I) Cyanide ion | — | 9 |
 Phosphates | 2 | 2 |
 Isopropanol | 2 | — |
 Glycerol | — | 3 |
 Chloride ion | 1 | — |
 Water | 111 | 108 |
 B factor (Å2) | 35.2 | 35.6 |
 Protein (non-H atoms) | 34.8 | 35.1 |
 Gold (I) Cyanide ion | — | 46.0 |
 Phosphates | 42.4 | 40.0 |
 Isopropanol | 43.7 | — |
 Glycerol | — | 43.2 |
 Chloride ion | 33.1 | — |
 Water | 39.7 | 39.2 |
r.m.s. deviations | ||
 Bond lengths (Å) | 0.006 | 0.007 |
 Bond angles (°) | 0.991 | 1.102 |
