3PNU
2.4 Angstrom Crystal Structure of Dihydroorotase (pyrC) from Campylobacter jejuni.
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 | 2010-11-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.520, 80.802, 154.878 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.520 - 2.400 |
| R-factor | 0.19351 |
| Rwork | 0.191 |
| R-free | 0.24954 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j79 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.460 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.079 | 0.559 |
| Number of reflections | 35063 | |
| <I/σ(I)> | 25 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 7.7 mg/mL, 0.25M Sodium cloride, Tris-HCl (pH 8.3); Screen: PACT (F9), 0.2M Potassium/Sodium tartrate, 0.1M Bis TRIS propane (pH 6.5), 20% w/v PEG 3350., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
