5E9M
Crystal Structure of BAZ2B bromodomain in complex with N-methyltrimethylacetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.370, 96.111, 57.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.056 - 1.778 |
| R-factor | 0.1752 |
| Rwork | 0.174 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.056 | 48.056 | 1.870 |
| High resolution limit [Å] | 1.778 | 5.620 | 1.778 |
| Rmerge | 0.012 | 0.455 | |
| Rmeas | 0.038 | ||
| Rpim | 0.015 | 0.006 | 0.210 |
| Total number of observations | 141369 | 5003 | 20429 |
| Number of reflections | 22139 | ||
| <I/σ(I)> | 28.8 | 85.7 | 4 |
| Completeness [%] | 99.7 | 99.8 | 99 |
| Redundancy | 6.4 | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG500MME (20%), PEG1000 (2%), PEG3350 (2%), PEG20000 (10%), MPD (2%) |
