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) |
