5LVR
Crystal structure of human PCAF bromodomain in complex with compound-E (CPD-E)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91997 |
| Spacegroup name | H 3 |
| Unit cell lengths | 99.659, 99.659, 100.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.830 - 2.050 |
| R-factor | 0.17598 |
| Rwork | 0.175 |
| R-free | 0.20393 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.646 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.830 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.060 | 0.668 |
| Number of reflections | 23298 | |
| <I/σ(I)> | 12 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8 |
