3SIZ
Crystal structure of the mutant S127A 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 | 2011-06-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.895, 64.164, 61.572 |
| Unit cell angles | 90.00, 115.60, 90.00 |
Refinement procedure
| Resolution | 32.356 - 1.321 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ltp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| 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] | 32.356 |
| High resolution limit [Å] | 1.321 |
| Number of reflections | 98290 |
| Completeness [%] | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 30% PEG 4000, 0.1M Sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
