7BL9
BAZ2A bromodomain in complex with GSK2801 chemical probe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.943 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.271, 56.802, 76.623 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.310 - 1.300 |
R-factor | 0.1571 |
Rwork | 0.156 |
R-free | 0.17970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mgj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
Data reduction software | Aimless (0.7.4) |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.312 | 38.310 | 1.320 |
High resolution limit [Å] | 1.300 | 7.000 | 1.300 |
Rmerge | 0.054 | 0.023 | 1.150 |
Rmeas | 0.057 | 0.025 | 1.199 |
Rpim | 0.016 | 0.007 | 0.336 |
Total number of observations | 1777 | 15369 | |
Number of reflections | 24160 | 190 | 1216 |
<I/σ(I)> | 23 | 80.3 | 2.3 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12.4 | 9.4 | 12.6 |
CC(1/2) | 1.000 | 1.000 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |