5E9V
Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.381, 37.960, 60.551 |
| Unit cell angles | 90.00, 106.17, 90.00 |
Refinement procedure
| Resolution | 29.660 - 1.800 |
| R-factor | 0.19511 |
| Rwork | 0.193 |
| R-free | 0.23089 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.660 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.657 |
| Number of reflections | 23830 | |
| <I/σ(I)> | 19.5 | 2.9 |
| Completeness [%] | 99.4 | 96.2 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 0.2 M NaNO3, 0.1 M BTProp pH 6.5, 20% PEG 3350, 10% EtGly |
