4NRC
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186
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 | 81.270, 96.590, 57.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.870 - 1.860 |
| R-factor | 0.1735 |
| Rwork | 0.173 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.870 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.093 | 0.802 |
| Number of reflections | 19430 | |
| <I/σ(I)> | 13.7 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 19% PEG 1000, 12% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
