5MGM
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 94.861, 94.861, 32.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.380 - 2.800 |
R-factor | 0.2195 |
Rwork | 0.218 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lz2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.873 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.380 | 27.380 | 2.950 |
High resolution limit [Å] | 2.800 | 8.860 | 2.800 |
Rmerge | 0.318 | 0.099 | 1.347 |
Number of reflections | 4298 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 99.5 | 97 | 100 |
Redundancy | 9.8 | 10.3 | 8.7 |
CC(1/2) | 0.984 | 0.997 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |