4XY8
Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-02-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.716, 43.604, 40.880 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 19.540 - 1.700 |
| R-factor | 0.1502 |
| Rwork | 0.148 |
| R-free | 0.18570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.747 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.559 | 19.559 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.086 | 0.060 | 0.337 |
| Rmeas | 0.090 | ||
| Rpim | 0.029 | 0.020 | 0.115 |
| Total number of observations | 142203 | 4549 | 19352 |
| Number of reflections | 14841 | ||
| <I/σ(I)> | 20.3 | 35.3 | 7.4 |
| Completeness [%] | 97.7 | 98.1 | 95.2 |
| Redundancy | 9.6 | 9 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.20M NaBr, 0.1M BTProp pH 7.5, 20.0% PEG 3350, 10.0% EtGly, |
