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 |
