3WK3
Orotidine 5'-monophosphate decarboxylase K72A mutant from M. thermoautotrophicus complexed with orotidine 5'-monophosphate ethyl ester
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.1271 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.985, 103.466, 73.628 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.260 |
| R-factor | 0.1653 |
| Rwork | 0.165 |
| R-free | 0.17660 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3wk0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.813 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.710 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.040 | 0.218 |
| Number of reflections | 57994 | |
| <I/σ(I)> | 49.6 | 6 |
| Completeness [%] | 96.6 | 93.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | Sodium citrate, pH 8.5, VAPOR DIFFUSION, temperature 293K |
