4J1P
X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 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 | 2011-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 51.100, 66.350, 75.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.560 - 1.080 |
| R-factor | 0.1295 |
| Rwork | 0.128 |
| R-free | 0.15920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oni |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 2.330 | 1.080 |
| Rmerge | 0.043 | 0.030 | 0.388 |
| Number of reflections | 55428 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.6 | 96.2 | 99.9 |
| Redundancy | 4.6 | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | 25% (w/v) PEG 1500, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
