5DW1
X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.289, 57.318, 62.033 |
| Unit cell angles | 62.09, 72.08, 66.08 |
Refinement procedure
| Resolution | 50.000 - 1.550 |
| R-factor | 0.1607 |
| Rwork | 0.159 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.213 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.040 | 0.029 | 0.426 |
| Rmeas | 0.056 | 0.041 | 0.602 |
| Rpim | 0.040 | 0.029 | 0.426 |
| Total number of observations | 165868 | ||
| Number of reflections | 85026 | ||
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 95.0 | 90.4 | 93.6 |
| Redundancy | 2 | 1.9 | 2 |
| CC(1/2) | 0.994 | 0.645 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.6 M sodium malonate |
