7ZWP
Crystal structure of human BCL6 BTB domain in complex with compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.270, 67.270, 164.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.530 - 1.850 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.530 | 47.530 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.236 | 0.090 | 3.108 |
| Rmeas | 0.247 | 0.096 | 3.242 |
| Rpim | 0.073 | 0.034 | 0.914 |
| Total number of observations | 223675 | 1761 | 14140 |
| Number of reflections | 19548 | 231 | 1165 |
| <I/σ(I)> | 7.7 | 19.9 | 1 |
| Completeness [%] | 99.8 | 99.1 | 99.5 |
| Redundancy | 11.4 | 7.6 | 12.1 |
| CC(1/2) | 0.994 | 0.990 | 0.422 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution. |
