3DBP
Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.978654 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.118, 61.558, 70.565 |
Unit cell angles | 90.00, 112.76, 90.00 |
Refinement procedure
Resolution | 18.670 - 1.500 |
R-factor | 0.1659 |
Rwork | 0.165 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p1f |
RMSD bond length | 0.010 |
RMSD bond angle | 1.517 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.063 | 0.293 |
Number of reflections | 84448 | |
<I/σ(I)> | 12.9 | 4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.7 | 3.7 |
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 |