3JUV
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 174.144, 174.144, 244.269 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.670 - 3.120 |
| R-factor | 0.1991 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3I3K |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.292 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 (MOLREP) |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 3.120 |
| Rmerge | 0.112 |
| Number of reflections | 30272 |
| <I/σ(I)> | 20.3 |
| Completeness [%] | 99.1 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 2.5M (NH4)2SO4, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
