3WJY
Orotidine 5'-monophosphate decarboxylase K72A mutant from M. thermoautotrophicus complexed with 6-amino-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.118, 103.527, 74.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.720 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dvj |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.729 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.780 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.058 | 0.315 |
| Number of reflections | 24073 | |
| <I/σ(I)> | 34.8 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | Sodium citrate, pH 6.5, VAPOR DIFFUSION, temperature 293K |
