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 |