3WZV
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 | 2011-03-07 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.630, 58.867, 76.876 |
Unit cell angles | 90.00, 118.92, 90.00 |
Refinement procedure
Resolution | 22.070 - 1.900 |
R-factor | 0.1382 |
Rwork | 0.136 |
R-free | 0.17260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vmj |
RMSD bond length | 0.020 |
RMSD bond angle | 1.949 |
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 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.066 | 0.038 | 0.334 |
Number of reflections | 32231 | ||
<I/σ(I)> | 16.8 | ||
Completeness [%] | 99.4 | 95.6 | 99.4 |
Redundancy | 3.9 | 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 |