3MO7
Crystal structure of human orotidine 5'-monophosphate decarboxylase covalently modified by 2'-fluoro-6-iodo-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.499, 116.035, 62.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.610 - 1.350 |
R-factor | 0.15636 |
Rwork | 0.155 |
R-free | 0.17534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p1f |
RMSD bond length | 0.010 |
RMSD bond angle | 1.439 |
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 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.073 | 0.476 |
Number of reflections | 56107 | |
<I/σ(I)> | 11.2 | 3.1 |
Completeness [%] | 94.1 | 97.7 |
Redundancy | 4.8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |