Table 1. Data collection and refinement statistics.
Native | Pt Derivative | |
Data collection | ||
Space group | P3121 | P3121 |
Cell dimensions | ||
a, b, c (Å) | 125.2, 125.2, 81.4 | 124.8, 124.8, 81.6 |
α β γ (°) | 90, 90, 120 | 90, 90, 120 |
Resolution (Å) | 1.45 (1.53–1.45)* | 2.9 (3.06–2.9) |
R sym | 6.8 (46.6) | 9.4 (19.2) |
R pim | 4.7 (36.3) | 2.9 (6.0) |
I/σI | 11.7 (1.7) | 28.6 (14.1) |
Completeness (%) | 98.6 (92.0) | 99.8 (100) |
Redundancy | 4.4 (2.7) | 21.2 (21.7) |
Refinement | ||
Resolution (Å) | 1.45 | - |
No. reflections | 127960 | - |
R work/R free | 16.6/18.2 | - |
No. of atoms/average B factor | ||
Protein | 3206/27.8 | |
Ligand | 33/41.1 | |
Water | 441/31.5 | |
R.m.s. deviations | ||
Bond lengths (Å) | 0.022 | - |
Bond angles (°) | 1.9 | - |
*Values in parentheses are for highest-resolution shell.