7LWF
Crystal structure of the BCL6 BTB domain in complex with OICR-9320
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 30.473, 72.420, 55.592 |
Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
Resolution | 29.960 - 1.220 |
R-factor | 0.1466 |
Rwork | 0.145 |
R-free | 0.16680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lbz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.540 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.210 | 1.224 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.027 | 0.393 |
Rmeas | 0.032 | 0.456 |
Rpim | 0.022 | 0.303 |
Number of reflections | 34189 | 336 |
<I/σ(I)> | 18.7 | 2.2 |
Completeness [%] | 99.4 | 100 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG, citrate cocrystallization, crystal soaked with Hepes pH 7.4, 20% glycerol, ligand prior to freezing. |