3MW7
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-UMP(produced from 5-fluoro-6-amino-UMP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 1-BM-C |
| Synchrotron site | APS |
| Beamline | 1-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.290, 61.742, 71.212 |
| Unit cell angles | 90.00, 111.64, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.320 |
| R-factor | 0.20758 |
| Rwork | 0.205 |
| R-free | 0.26532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.606 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.106 | 0.330 |
| Number of reflections | 19597 | |
| <I/σ(I)> | 10.2 | 1.84 |
| Completeness [%] | 83.5 | 49.8 |
| Redundancy | 3.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | Ammonium Sulfate, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
