5DKD
Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe
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 | 2014-04-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9207 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.926, 74.566, 52.626 |
| Unit cell angles | 90.00, 109.90, 90.00 |
Refinement procedure
| Resolution | 29.780 - 2.000 |
| R-factor | 0.2692 |
| Rwork | 0.268 |
| R-free | 0.29729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uvd |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.741 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.780 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.304 |
| Number of reflections | 21859 | |
| <I/σ(I)> | 9.8 | 3.3 |
| Completeness [%] | 96.8 | 95.7 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277.15 | 0.1 M Bis Tris pH 7.2, 0.1 M ammonium acetate, 0.1 M ZnCl2, 15% PEG smear high (mixture from PEG8k to 20k) |
