7GXR
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 4.26 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 | 67.610, 67.610, 165.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.270 - 1.850 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| 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] | 33.840 | 33.840 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.064 | 0.021 | 0.477 |
| Rmeas | 0.067 | 0.023 | 0.503 |
| Rpim | 0.020 | 0.008 | 0.155 |
| Total number of observations | 181350 | 1504 | 11320 |
| Number of reflections | 18263 | 186 | 1153 |
| <I/σ(I)> | 17.9 | 51.3 | 4.3 |
| Completeness [%] | 92.9 | 85.9 | 95.1 |
| Redundancy | 9.9 | 8.1 | 9.8 |
| CC(1/2) | 0.999 | 0.997 | 0.926 |
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 |
