2I6U
Crystal Structure of Ornithine Carbamoyltransferase complexed with Carbamoyl Phosphate and L-Norvaline from Mycobacterium tuberculosis (Rv1656) at 2.2 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979462 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 99.149, 99.149, 463.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.568 - 2.200 |
| R-factor | 0.17879 |
| Rwork | 0.176 |
| R-free | 0.23887 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb5 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.568 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.082 | 0.307 |
| Number of reflections | 51538 | |
| <I/σ(I)> | 16.4 | 3.3 |
| Completeness [%] | 73.8 | 43.9 |
| Redundancy | 5.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 273 | 1.6M Magnesium Sulfate, 0.1M Bis-Tris, 8% PEG 400, 3% ethanol, 3mM L-Norvaline, 3mM Carbamoyl phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
