3TPF
Crystal structure of anabolic ornithine carbamoyltransferase from Campylobacter jejuni subsp. jejuni NCTC 11168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Detector technology | CCD |
| Collection date | 2010-03-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 157.163, 87.398, 141.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.20394 |
| Rwork | 0.202 |
| R-free | 0.24013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL GENERATED BY SWISSMODEL BASED ON 1A1S STRUCTURE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.772 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.089 | 0.681 |
| Number of reflections | 54348 | |
| <I/σ(I)> | 33.4 | 3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 25%PEG 3350, 0.2M Na Chloride, 0.1 HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
