6TOO
Crystal structure of human BCL6 BTB domain in complex with compound 11a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-07 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.775, 67.775, 165.288 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.850 - 1.530 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| 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] | 47.850 | 47.850 | 1.560 |
| High resolution limit [Å] | 1.530 | 8.380 | 1.530 |
| Rmerge | 0.135 | 0.067 | 3.022 |
| Rmeas | 0.139 | 0.069 | 3.109 |
| Rpim | 0.033 | 0.017 | 0.725 |
| Total number of observations | 629463 | 3995 | 30196 |
| Number of reflections | 34884 | 283 | 1686 |
| <I/σ(I)> | 16.6 | 45.8 | 1.6 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 18 | 14.1 | 17.9 |
| CC(1/2) | 0.998 | 0.997 | 0.685 |
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. |
