2UUQ
Crystal structure of CYP130 from Mycobacterium tuberculosis in the ligand-free form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-07-02 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.005, 53.854, 43.726 |
| Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
| Resolution | 79.560 - 1.460 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.22700 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.257 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.032 | 0.170 |
| Number of reflections | 64293 | |
| <I/σ(I)> | 46.4 | 6.5 |
| Completeness [%] | 95.6 | 81.9 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | 1.6 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE, PH=5.2, 2 % ISOPROPANOL | ||
| 1 | 5.2 | 1.6 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE, PH=5.2, 2 % ISOPROPANOL |
