4LC6
Crystal structure of the mutant H128Q 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 | 2013-06-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.728, 63.790, 61.453 |
Unit cell angles | 90.00, 115.13, 90.00 |
Refinement procedure
Resolution | 41.929 - 1.320 |
R-factor | 0.1506 |
Rwork | 0.150 |
R-free | 0.16450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ltp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.111 |
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] | 41.929 |
High resolution limit [Å] | 1.320 |
Number of reflections | 97949 |
Completeness [%] | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG 4000, 0.1M Tris, 0.2M lithium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |