6J3O
Crystal structure of the human PCAF bromodomain in complex with compound 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978897 |
| Spacegroup name | H 3 |
| Unit cell lengths | 101.520, 101.520, 99.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.760 - 2.110 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mkx |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.505 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14RC3_3199: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.760 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.129 | 1.553 |
| Number of reflections | 21934 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM HEPES pH 8.2, 26% PEG10000 (v/v), 4% glycol |
