2WX2
X-RAY STRUCTURE OF CYP51 FROM THE HUMAN PATHOGEN TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE
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 | 2009-10-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.993, 101.472, 74.729 |
| Unit cell angles | 90.00, 111.63, 90.00 |
Refinement procedure
| Resolution | 69.500 - 2.270 |
| R-factor | 0.19677 |
| Rwork | 0.193 |
| R-free | 0.27339 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wuz |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.736 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.300 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 40051 | |
| <I/σ(I)> | 8.5 | 2.4 |
| Completeness [%] | 100.0 | 55.7 |
| Redundancy | 3.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG 4000, 0.1 M BIS-TRIS, PH 5.5 |
