4NRB
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197
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 | 2011-01-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.440, 96.550, 57.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.840 - 2.080 |
| R-factor | 0.1806 |
| Rwork | 0.178 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.930 | 2.190 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.154 | 0.787 |
| Number of reflections | 14004 | |
| <I/σ(I)> | 8.7 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 19% PEG 1000, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
