Table 1.
Crystallographic data collection and refinement statistics of the BRPF1 bromodomain in complex with H2AK5ac and H4K12ac.
| Bromodomain + H4K12ac | Bromodomain + H2AK5ac | |
|---|---|---|
| No. of crystals | 1 | 1 |
| Beamline | BNL X29 | BNL X29 |
| Wavelength (Å) | 1.075 | 1.075 |
| Detector | ADSC Quantum-315r CCD | ADSC Quantum-315r CCD |
| Crystal-to-detector distance (mm) | 250 | 225 |
| Rotation range per image (°) | 1 | 0.5 |
| Total rotation range (°) | 360 | 284 |
| Exposure time per image (sec) | 12 | 12 |
| Resolution range (Å) | 34.43–1.94 | 41.02–1.80 |
| Space group | P43212 | P21 |
| Unit cell parameters | ||
| a, b, c (Å) | 75.1, 75.1, 86.3 | 60.9, 55.6, 82.1 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 93.6, 90.0 |
| Unique reflections | 18780 | 48421 |
| Rwork/Rfree (%) | 17.55/21.29 | 20.39/25.26 |
| Redundancy | 27.7 (27.2) | 4.0 (3.9) |
| Mean I/σ(I) | 25.84 (14.66) | 21.04 (3.0) |
| Completeness (%) | 99.6 (96.9) | 99.9 (100) |
| Rmerge (%)* | 13.9 (27.9) | 8.1 (38.6) |
| Wilson B factor (Å2) | 26.5 | 21.0 |
| Number of non-hydrogen atoms | ||
| Protein | 997 | 4267 |
| Water | 143 | 722 |
| RMSD | ||
| Bond lengths (Å) | 0.007 | 0.019 |
| Bond angles (°) | 0.95 | 1.78 |
| Ramachandran plot | ||
| Residues in most favored regions | 93.5% | 94.0% |
| Residues in additional allowed regions | 5.6% | 6.0% |
| Residues in generously allowed regions | 0.9% | 0.0% |
| Residues in disallowed regions | 0.0% | 0.0% |
*
Rmerge = SUM (ABS(I − <I>)) / SUM (I)