7RUY
Crystal structure of the BCL6 BTB domain in complex with OICR-8388
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 | 2012-06-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 30.447, 72.180, 55.538 |
Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
Resolution | 27.250 - 1.270 |
R-factor | 0.1448 |
Rwork | 0.143 |
R-free | 0.17110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r29 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.287 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.250 | 1.340 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.041 | 0.397 |
Rmeas | 0.053 | 0.513 |
Rpim | 0.033 | 0.320 |
Number of reflections | 28364 | 4075 |
<I/σ(I)> | 16 | 3 |
Completeness [%] | 93.7 | 92.7 |
Redundancy | 4.1 | 4.1 |
CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 292 | sodium formate, sodium acetate, pH 4.8 |