2WUZ
X-ray structure of CYP51 from Trypanosoma cruzi in complex with fluconazole in alternative conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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 | 2009-08-21 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.858, 92.574, 78.277 |
Unit cell angles | 90.00, 102.14, 90.00 |
Refinement procedure
Resolution | 76.530 - 2.350 |
R-factor | 0.22028 |
Rwork | 0.217 |
R-free | 0.27476 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wv2 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.891 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.500 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.110 | 0.500 |
Number of reflections | 40838 | |
<I/σ(I)> | 7.4 | 1.5 |
Completeness [%] | 93.6 | 70.8 |
Redundancy | 3.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 40% POLYPROPYLENE GLYCOL 400, 0.1 TRIS-HCL, PH=6.0 |