4XUA
Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue
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 | 2011-11-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.640, 96.010, 57.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.750 |
R-factor | 0.18179 |
Rwork | 0.180 |
R-free | 0.21904 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g0l |
RMSD bond length | 0.015 |
RMSD bond angle | 1.605 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.350 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.053 | 0.479 |
Number of reflections | 22857 | |
<I/σ(I)> | 15.2 | 2.5 |
Completeness [%] | 98.4 | 96.7 |
Redundancy | 5.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 36% Low Molecular Weight PEG Smears (LMW PEG smears), 0.1M MES pH 6.5 (Ligand soaking performed in low-molecular-weight PEG smears stabilizing solution) |