2BZ9
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2004-11-09 |
| Detector | MAR300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.910, 110.340, 99.627 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 36.970 - 2.210 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.100 | 0.320 |
| Number of reflections | 45446 | |
| <I/σ(I)> | 12.7 | 2.3 |
| Completeness [%] | 95.0 | 78 |
| Redundancy | 3.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 25% PEG 4000 4% ISOPROPANOL 0.1 M HEPES, 7.5 T=20 C |
