4EP1
Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 182.438, 182.438, 182.438 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.250 |
| R-factor | 0.1724 |
| Rwork | 0.170 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SwissModel-generated model |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.629 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.163 | 0.931 |
| Number of reflections | 16913 | |
| <I/σ(I)> | 22.8 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 289 | Protein: 10 mg/ml in 10 mM Tris-HCl pH 8.3, 500 mM NaCl and 5 mM b-mercaptoethanol. Precipitant: 0.2M potassium sodium tartrate, 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
