6FIC
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 113.573, 113.573, 72.592 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 98.360 - 2.180 |
R-factor | 0.20319 |
Rwork | 0.201 |
R-free | 0.23595 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eqf |
RMSD bond length | 0.020 |
RMSD bond angle | 1.812 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.360 | 2.210 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.011 | |
Rmeas | 0.121 | |
Number of reflections | 28664 | 1409 |
<I/σ(I)> | 13.2 | 2.4 |
Completeness [%] | 100.0 | 99 |
Redundancy | 10.1 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.5, 4.2 M NaCl |