7GXP
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 1.42 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 | 67.580, 67.580, 165.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.270 - 1.850 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | DIALS |
| 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] | 33.830 | 33.830 | 1.890 |
| High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
| Rmerge | 0.072 | 0.025 | 0.454 |
| Rmeas | 0.076 | 0.027 | 0.479 |
| Rpim | 0.023 | 0.009 | 0.149 |
| Total number of observations | 181288 | 1491 | 11227 |
| Number of reflections | 18223 | 182 | 1144 |
| <I/σ(I)> | 15.9 | 39.8 | 4.4 |
| Completeness [%] | 92.8 | 84.3 | 95.2 |
| Redundancy | 9.9 | 8.2 | 9.8 |
| CC(1/2) | 0.999 | 0.999 | 0.923 |
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 |
