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 |