3NQC
Crystal structure of the mutant I96S 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 | 2010-04-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.927, 64.339, 61.578 |
| Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
| Resolution | 32.250 - 1.531 |
| R-factor | 0.1627 |
| Rwork | 0.161 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g18 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.085 |
| 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] | 32.250 |
| High resolution limit [Å] | 1.531 |
| Rmerge | 0.087 |
| Number of reflections | 63155 |
| Completeness [%] | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 60% tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
