4LW7
Crystal structure of the mutant H128S 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 X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.727, 64.350, 61.275 |
Unit cell angles | 90.00, 115.50, 90.00 |
Refinement procedure
Resolution | 32.280 - 1.423 |
R-factor | 0.1524 |
Rwork | 0.152 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ltp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.104 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.280 |
High resolution limit [Å] | 1.423 |
Number of reflections | 78411 |
Completeness [%] | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG 3350, 0.1M bis-tris, 0.2M ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |