3RLU
Crystal structure of the mutant K82A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the 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 | 2011-02-18 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.784, 64.013, 61.627 |
Unit cell angles | 90.00, 115.52, 90.00 |
Refinement procedure
Resolution | 32.375 - 1.490 |
R-factor | 0.1543 |
Rwork | 0.153 |
R-free | 0.17390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ltp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.062 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.375 |
High resolution limit [Å] | 1.490 |
Number of reflections | 68389 |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG8000, 0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |