3LLD
Crystal structure of the mutant S127G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.779, 63.638, 61.119 |
Unit cell angles | 90.00, 115.19, 90.00 |
Refinement procedure
Resolution | 22.700 - 1.450 |
R-factor | 0.184 |
Rwork | 0.184 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g18 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 1.450 |
Rmerge | 0.064 |
Number of reflections | 68702 |
Completeness [%] | 93.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 3350, 0.15M malic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |