1H5Z
CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN FERRIC LOW-SPIN STATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-22 |
| Detector | RIGAKU-MSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.489, 84.827, 110.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.050 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e9x |
| RMSD bond length | 0.006 |
| RMSD bond angle | 20.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.105 * | 0.457 * |
| Total number of observations | 103288 * | |
| Number of reflections | 25277 | |
| <I/σ(I)> | 10.6 | 3.1 |
| Completeness [%] | 90.6 * | 90.9 |
| Redundancy | 4.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 295 | 20% PEG 4000, 0.1 M NA CACODYLATE, PH 6.5, 22 C |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.2 (mM) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | PEG4000 | 20 (%) | |
| 5 | 1 | reservoir | isopropanol | 10 (%) | |
| 6 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
