2WHF
Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines
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 | 2008-10-14 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.897, 53.942, 44.047 |
| Unit cell angles | 90.00, 96.73, 90.00 |
Refinement procedure
| Resolution | 79.810 - 1.580 |
| R-factor | 0.19999 |
| Rwork | 0.196 |
| R-free | 0.23963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.656 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.040 | 0.450 |
| Number of reflections | 51244 | |
| <I/σ(I)> | 39.7 | 3.1 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 20% PEG 4000, 0.1M NA ACETATE, PH 5.5; 3% ISOPROPYL ALCOHOL |
