6FGG
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5
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 | 2017-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.408, 62.566, 69.387 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.480 - 1.100 |
R-factor | 0.1473 |
Rwork | 0.147 |
R-free | 0.15480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mgj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.480 | 41.480 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.040 | 0.027 | 0.375 |
Rmeas | 0.042 | 0.028 | 0.400 |
Rpim | 0.012 | 0.008 | 0.136 |
Number of reflections | 49126 | 352 | 2298 |
<I/σ(I)> | 30.5 | ||
Completeness [%] | 99.8 | 99.6 | 96.3 |
Redundancy | 12.3 | 12 | 8.3 |
CC(1/2) | 1.000 | 0.999 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |