6C3N
Crystal structure of BCL6 BTB domain in complex with compound 7CC5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.103, 85.065, 117.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.639 - 2.532 |
R-factor | 0.210066088749 |
Rwork | 0.207 |
R-free | 0.26752 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r29 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.620 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.116 | 0.438 |
Number of reflections | 11920 | 1054 |
<I/σ(I)> | 16.6 | |
Completeness [%] | 84.4 | |
Redundancy | 6.3 | |
CC(1/2) | 0.993 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.6 M ammonium formate, .1 M Tris, pH 7.5 |