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 |