5FE6
Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10)
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 | 2014-05-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | H 3 |
| Unit cell lengths | 99.939, 99.939, 99.672 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.850 - 1.770 |
| R-factor | 0.18103 |
| Rwork | 0.179 |
| R-free | 0.21248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 3GG3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.566 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.850 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.050 | 0.609 |
| Number of reflections | 36188 | |
| <I/σ(I)> | 16.5 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.1 | 4.3 |
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 |
