7GUP
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 19.63 MGy X-ray dose.
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 | 67.600, 67.600, 166.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.910 - 1.800 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.910 |
| Data reduction software | Aimless (0.5.32) |
| 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 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.098 | 0.039 | 2.374 |
| Rmeas | 0.104 | 0.042 | 2.511 |
| Rpim | 0.034 | 0.016 | 0.810 |
| Total number of observations | 195770 | 1510 | 11610 |
| Number of reflections | 21741 | 226 | 1253 |
| <I/σ(I)> | 10 | 29.4 | 0.9 |
| Completeness [%] | 100.0 | 98.7 | 100 |
| Redundancy | 9 | 6.7 | 9.3 |
| CC(1/2) | 0.999 | 0.998 | 0.507 |
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 |
