3VMJ
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.683, 57.495, 76.330 |
| Unit cell angles | 90.00, 119.03, 90.00 |
Refinement procedure
| Resolution | 33.370 - 1.560 |
| R-factor | 0.17897 |
| Rwork | 0.177 |
| R-free | 0.21548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vkz |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.500 |
| Data reduction software | HKL-2000 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
| Rmerge | 0.038 | 0.027 | 0.255 |
| Number of reflections | 55280 | ||
| <I/σ(I)> | 22 | ||
| Completeness [%] | 99.2 | 92.9 | 93.9 |
| Redundancy | 3.6 | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 3350, sodium chloride, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
