Table 1.
BRCA1-A Crystallographic Data Collection and Refinement Statistics
| Native Zn-SAD | PDB: 6GVWa | |
|---|---|---|
| Data Collection | ||
| Space group | P212121 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 97.07, 122.71, 431.94 | 97.10, 112.64, 431.33 |
| Resolution (Å) | 118–4.30 (4.374–4.300)b | 30–3.75 (3.814–3.750) |
| Rmeas | 0.217 (>3.000) | 0.175 (>3.000) |
| Rpim | 0.024 (1.814) | 0.025 (2.173) |
| CC1/2 | 0.999 (0.305) | 0.952 (0.476) |
| Mean I/σI | 18.3 (0.5) | 11.6 (0.4) |
| Multiplicity | 79.6 (79.1) | 51.9 (52.8) |
| Completeness (%) | ||
| Spherical | 100 (100) | 100 (100) |
| Ellipsoidal | – | 82.6 (33.2)c |
| Refinement | ||
| Resolution (Å) | – | 30–3.75 |
| No. reflections | – | 42,193 |
| Rwork/Rfree (%) | – | 22.72/25.91 |
| No. atoms | ||
| Protein | – | 20,138 |
| Zn2+ ions | – | 2 |
| Water | – | 2 |
| B factors | ||
| Protein | – | 229 |
| Zn2+ ions | – | 193 |
| Water | – | 163 |
| RMSDs | ||
| Bond lengths (Å) | – | 0.006 |
| Bond angles (°) | – | 1.147 |
a
Data from 7 crystals were combined
b
Values in parentheses are for highest-resolution shell
c
After anisotropic truncation with STARANISO as used for refinement