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 |