8R6N
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to a pyridoindole 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 | 2018-11-07 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 67.582, 67.582, 152.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.810 - 2.110 |
| R-factor | 0.2593 |
| Rwork | 0.257 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.677 |
| Data reduction software | AutoProcess |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.810 | 2.420 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmeas | 0.277 | 1.266 |
| Number of reflections | 5781 | 289 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 54.7 | 8.9 |
| Redundancy | 12.3 | |
| CC(1/2) | 0.997 | 0.696 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.8 M sodium dihydrogen phosphate, 0.8 M potassium dihydrogen phosphate, 0.1 M Hepes pH 7.5 |
