Table 1. Crystallographic Statistics.
| GH3-1•AIEP |
GH3-1•AIEP Pt-Derivative |
||
|---|---|---|---|
| Space Group | P41212 | Space Group | P41212 |
| Cell (a = b × c) | 91.17 × 338.07 | Cell (a = b × c) | 91.60 × 339.04 |
| Resolution (Å) | 2.40 | Resolution (Å) | 2.88 |
| Completeness (%) | 99.9 (100) | Completeness (%) | 100 (100) |
| Rmerge (%) | 12.6 (71.6) | Rmerge (%) | 10.8 (64.9) |
| Mean I/sigI | 16.7 (4.0) | Mean I/sigI | 20.0 (5.1) |
| No. of unique reflections | 54,126 | No. of unique reflections | 33,925 |
| Multiplicity | 14.1 | Multiplicity | 13.0 |
| Rwork (%) | 22.4 | Anomalous completeness | 100 |
| Rfree (%) | 26.4 | Anomalous multiplicity | 6.9 |
| No. of protein atoms | 9,096 | RCR anomalous (overall) | 1.56 |
| No. of waters | 150 | Wavelength (Å) | 1.0113 |
| No. of ligand atoms | 66 | ||
| Mean B value overall (Å2) | 34.5 | ||
| Mean B value inhibitor (Å2) | 21.7 | ||
| Mean B value N terminus (Å2) | 30.9 | ||
| Mean B value C terminus (Å2) | 46.0 | ||
| Ramachandran analysis (%) preferred/ allowed/ outliers | 97.2/ 2.7/ 0.2 | ||
| Protein Data Bank code | 4B2G | ||
Values in parentheses are for the high-resolution bin.