5DKC
Crystal structure of the bromodomain of human BRM (SMARCA2) 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 | 2014-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | H 3 |
| Unit cell lengths | 74.424, 74.424, 89.856 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.190 - 1.600 |
| R-factor | 0.19468 |
| Rwork | 0.194 |
| R-free | 0.21115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qy4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.521 |
| 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] | 26.190 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.800 |
| Number of reflections | 24515 | |
| <I/σ(I)> | 17.1 | 2.1 |
| Completeness [%] | 99.4 | 93.5 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 19% PEG 6K, 4% ethyleneglycol, 0.01M ZnCl2 |
