3VKZ
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at atmospheric pressure
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 | 2010-11-25 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.797, 59.003, 76.754 |
| Unit cell angles | 90.00, 119.07, 90.00 |
Refinement procedure
| Resolution | 22.150 - 1.840 |
| R-factor | 0.1442 |
| Rwork | 0.142 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a05 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.207 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
| Rmerge | 0.066 | 0.049 | 0.408 |
| Number of reflections | 31951 | ||
| <I/σ(I)> | 21.7 | ||
| Completeness [%] | 89.4 | 78.3 | 89.3 |
| Redundancy | 3.8 | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 3350, calcium chloride, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
