2WV2
X-ray structure of CYP51 from the human pathogen Trypanosoma brucei in complex with fluconazole
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-06-19 |
| Detector | ADSC CCD |
| Wavelength(s) | 1.11587, 1.7393, 1.6531 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 106.179, 106.179, 99.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.060 - 2.700 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.27400 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.962 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | ELVES |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.110 | 1.000 |
| Number of reflections | 18252 | |
| <I/σ(I)> | 17 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 44 | 44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% ETHYLENE GLYCOL 0-3% ACETONITRILE |
