8R6J
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a pyrazole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-26 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 32.841, 142.619, 93.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.110 - 1.820 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.606 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.110 | 1.860 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmeas | 0.116 | 0.990 |
| Number of reflections | 20025 | 1160 |
| <I/σ(I)> | 10.4 | 1.7 |
| Completeness [%] | 99.1 | 99.6 |
| Redundancy | 4.1 | 3.7 |
| CC(1/2) | 0.996 | 0.532 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 26% PEG 10000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate (pH 6.5) |
