4LFY
Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
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 | 2013-06-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.480, 89.870, 153.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.800 |
| R-factor | 0.15895 |
| Rwork | 0.157 |
| R-free | 0.18714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j79 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.640 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.437 |
| Number of reflections | 69409 | |
| <I/σ(I)> | 15.33 | 3.85 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.16 | 6.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 289 | 0.1M Tris HCl, 18% PEG4000, 0.2M CaCl2, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
