3VL6
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580 MPa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2011-10-08 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.700 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.144, 57.380, 75.213 |
| Unit cell angles | 90.00, 118.76, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.070 |
| R-factor | 0.1771 |
| Rwork | 0.174 |
| R-free | 0.23522 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vkz |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.927 |
| 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 | 2.110 |
| High resolution limit [Å] | 2.070 | 5.620 | 2.070 |
| Rmerge | 0.085 | 0.044 | 0.377 |
| Number of reflections | 22194 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 94.0 | 88.9 | 95 |
| Redundancy | 4.2 | 4.3 | 4.2 |
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 |
