8R6M
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to I-BET151
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-17 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.588, 88.426, 257.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.580 - 1.950 |
| R-factor | 0.1974 |
| Rwork | 0.195 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.550 |
| 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] | 55.200 | 2.180 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.292 | 2.056 |
| Number of reflections | 28171 | 1410 |
| <I/σ(I)> | 6.7 | 1.7 |
| Completeness [%] | 47.4 | 8.5 |
| Redundancy | 7.4 | 7.7 |
| CC(1/2) | 0.990 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.9 M Ammonium Sulfate, 0.1 M Sodium Cacodylate pH 6.5 |
