3NQF
Crystal structure of the mutant L123S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
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 | 2010-04-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.854, 63.934, 61.738 |
Unit cell angles | 90.00, 115.57, 90.00 |
Refinement procedure
Resolution | 30.736 - 1.312 |
R-factor | 0.1659 |
Rwork | 0.165 |
R-free | 0.17730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g18 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.119 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.736 |
High resolution limit [Å] | 1.312 |
Rmerge | 0.089 |
Number of reflections | 95704 |
Completeness [%] | 95.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 25% PEG3350, 0.1M Bis-Tris, 0.2M magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K |