7QZT
BAZ2A bromodomain in complex with isoquinoline derivative fragment 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 94.757, 94.757, 32.738 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.031 - 2.183 |
R-factor | 0.1856 |
Rwork | 0.183 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mgj |
RMSD bond length | 0.009 |
RMSD bond angle | 0.966 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.062 | 2.483 |
High resolution limit [Å] | 2.183 | 2.183 |
Number of reflections | 5399 | 540 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 60.1 | |
Redundancy | 3 | |
CC(1/2) | 0.998 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |