7GW0
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 21.00 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 | 67.860, 67.860, 167.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.070 - 1.900 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.21200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 0.960 |
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] | 34.070 | 34.070 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.084 | 0.020 | 1.412 |
Rmeas | 0.089 | 0.022 | 1.494 |
Rpim | 0.030 | 0.008 | 0.483 |
Total number of observations | 169296 | 1485 | 10983 |
Number of reflections | 18824 | 236 | 1170 |
<I/σ(I)> | 12 | 46.7 | 1.4 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 9 | 6.3 | 9.4 |
CC(1/2) | 0.999 | 1.000 | 0.752 |
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 |