3WZX
S266A mutant 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 0.1MPa - complex with IPM and Mg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-12-26 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.299, 58.832, 76.663 |
| Unit cell angles | 90.00, 118.96, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.900 |
| R-factor | 0.1363 |
| Rwork | 0.135 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vmj |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.948 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 5.050 | 1.860 |
| Rmerge | 0.050 | 0.032 | 0.354 |
| Number of reflections | 32337 | ||
| <I/σ(I)> | 20.3 | ||
| Completeness [%] | 94.0 | 83.5 | 94.1 |
| Redundancy | 2.2 | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 3350, NaCl, Na-HEPES, IPM, MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
