4NRA
Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322
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 | 2011-11-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.477, 96.377, 57.705 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.520 - 1.850 |
| R-factor | 0.17896 |
| Rwork | 0.177 |
| R-free | 0.21227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0l |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.567 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.520 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.078 | 0.658 |
| Number of reflections | 19706 | |
| <I/σ(I)> | 11.4 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 28% low MW PEG Smears, 0.1M MES pH 6.5, 15%(v/v) glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
