5MGF
Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
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 | 2016-07-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.118, 96.103, 57.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.148 - 1.900 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ir5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.058 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.150 | 42.150 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.048 | 0.024 | 0.732 |
Number of reflections | 18063 | ||
<I/σ(I)> | 23 | ||
Completeness [%] | 99.9 | 99.2 | 99.7 |
Redundancy | 7.2 | 6.6 | 7.3 |
CC(1/2) | 0.999 | 0.999 | 0.912 |
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%) |