7GVH
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 15.95 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 | 67.640, 67.640, 166.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.940 - 1.850 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 0.890 |
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] | 33.940 | 33.940 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.097 | 0.040 | 1.543 |
Rmeas | 0.103 | 0.043 | 1.631 |
Rpim | 0.034 | 0.016 | 0.521 |
Total number of observations | 180496 | 1510 | 11240 |
Number of reflections | 19870 | 213 | 1221 |
<I/σ(I)> | 10.9 | 32.8 | 1.4 |
Completeness [%] | 99.4 | 95.7 | 100 |
Redundancy | 9.1 | 7.1 | 9.2 |
CC(1/2) | 0.998 | 0.998 | 0.650 |
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 |