7GXX
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 12.78 MGy X-ray dose.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 67.730, 67.730, 166.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.910 - 1.850 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | BUSTER (2.10.3) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.910 | 33.910 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.076 | 0.019 | 1.074 |
| Rmeas | 0.080 | 0.020 | 1.132 |
| Rpim | 0.024 | 0.007 | 0.348 |
| Total number of observations | 181621 | 1480 | 11280 |
| Number of reflections | 18336 | 182 | 1145 |
| <I/σ(I)> | 14.4 | 56.3 | 1.9 |
| Completeness [%] | 92.8 | 84.3 | 95.3 |
| Redundancy | 9.9 | 8.1 | 9.9 |
| CC(1/2) | 0.999 | 0.999 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO |
