6TOG
Crystal structure of human BCL6 BTB domain in complex with compound 5
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 | 67.329, 67.329, 154.395 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.150 - 1.690 |
| R-factor | 0.232 |
| Rwork | 0.231 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.150 | 29.150 | 1.720 |
| High resolution limit [Å] | 1.690 | 9.100 | 1.690 |
| Rmerge | 0.158 | 0.053 | 3.601 |
| Rmeas | 0.160 | 0.054 | 3.654 |
| Rpim | 0.027 | 0.010 | 0.612 |
| Total number of observations | 884231 | 5486 | 42142 |
| Number of reflections | 24088 | 210 | 1197 |
| <I/σ(I)> | 16.9 | 56.5 | 1.4 |
| Completeness [%] | 100.0 | 97.4 | 100 |
| Redundancy | 36.7 | 26.1 | 35.2 |
| CC(1/2) | 0.999 | 1.000 | 0.434 |
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. |
