2WH8
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 | 2008-12-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.713, 84.900, 90.158 |
| Unit cell angles | 96.56, 90.02, 108.43 |
Refinement procedure
| Resolution | 89.440 - 1.700 |
| R-factor | 0.20527 |
| Rwork | 0.199 |
| R-free | 0.25930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uuq |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.820 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.030 | 0.330 |
| Number of reflections | 164200 | |
| <I/σ(I)> | 19.9 | 2.1 |
| Completeness [%] | 96.0 | 93.1 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 14% PEG 4000, 0.1M NA ACETATE, PH 5.0, 200 MM AMMONIUM SULFATE, 1% ISOPROPYL ALCOHOL |
