2UVN
Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis
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 | 2007-01-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 130.676, 130.676, 229.357 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.670 - 3.000 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.080 | 0.510 |
| Number of reflections | 45935 | |
| <I/σ(I)> | 29.9 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.25 | 1.4 M AMMONIUM SULFATE, 0.1 M MES, PH 6.25, 40 MM NAF |
