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 |