3SJ3
Crystal structure of the mutant R160A.Y206F 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 | 2011-06-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.086, 63.834, 61.910 |
| Unit cell angles | 90.00, 115.53, 90.00 |
Refinement procedure
| Resolution | 32.527 - 1.260 |
| R-factor | 0.1766 |
| Rwork | 0.176 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ltp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| 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] | 32.527 |
| High resolution limit [Å] | 1.260 |
| Number of reflections | 111994 |
| Completeness [%] | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG 4000, 0.1M Tris.HCl. 0.2M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
