2QCF
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.815, 115.512, 61.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.140 - 1.220 |
R-factor | 0.12264 |
Rwork | 0.121 |
R-free | 0.14838 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.840 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.140 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 81404 | |
<I/σ(I)> | 21.4 | 2.5 |
Completeness [%] | 99.8 | |
Redundancy | 6.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |