7GUS
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 1.25 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 | 67.737, 67.737, 166.681 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.970 - 1.750 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.870 |
| Data reduction software | Aimless (0.5.32) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.970 | 33.970 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.073 | 0.050 | 0.585 |
| Rmeas | 0.078 | 0.054 | 0.619 |
| Rpim | 0.026 | 0.021 | 0.200 |
| Total number of observations | 215288 | 1511 | 11903 |
| Number of reflections | 23750 | 234 | 1284 |
| <I/σ(I)> | 14.4 | 26.8 | 3.4 |
| Completeness [%] | 100.0 | 98.8 | 100 |
| Redundancy | 9.1 | 6.5 | 9.3 |
| CC(1/2) | 0.998 | 0.998 | 0.943 |
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 |
