6MO7
N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-08-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.058, 55.833, 68.467 |
| Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
| Resolution | 30.612 - 1.850 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.22990 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.901 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.845 | 1.850 |
| Rmerge | 0.048 | 0.470 |
| Number of reflections | 37482 | 3699 |
| <I/σ(I)> | 17.4 | 2.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 33% PEG 3350 150mM ammonium sulfate 100mM HEPES pH 7.5 |
