4JHX
Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoylphosphate and arginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.029, 79.387, 147.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.610 - 1.850 |
R-factor | 0.1559 |
Rwork | 0.154 |
R-free | 0.18970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h31 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.773 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.093 | 0.048 | 0.863 |
Number of reflections | 77411 | ||
<I/σ(I)> | 31.9 | 2.1 | |
Completeness [%] | 99.9 | 99.6 | 99.8 |
Redundancy | 6.5 | 6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | Protein: 10 mg/ml in 10 mM Tris-HCl pH 8.3, 20 mM Carbamoyl phosphate, 60 mM Arginine, 500 mM NaCl and 5 mM b-mercaptoethanol. Crystallization condition: 0.1M Bis-Tris pH 6.5, 25% w/v PEG 3350, 0.2M Ammonium Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |