3WZW
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580MPa - complex with IPM and Mg
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 | 2013-06-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.750 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.690, 57.669, 75.467 |
| Unit cell angles | 90.00, 118.66, 90.00 |
Refinement procedure
| Resolution | 36.230 - 1.800 |
| R-factor | 0.1758 |
| Rwork | 0.173 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vmj |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.042 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.076 | 0.042 | 0.490 |
| Rmeas | 0.049 | 0.567 | |
| Rpim | 0.024 | 0.279 | |
| Number of reflections | 33002 | ||
| <I/σ(I)> | 15.5 | ||
| Completeness [%] | 92.1 | 87 | 94 |
| Redundancy | 3.7 | 3.8 | 3.8 |
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 |
