3WZX
S266A mutant 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 | 2011-12-26 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.299, 58.832, 76.663 |
Unit cell angles | 90.00, 118.96, 90.00 |
Refinement procedure
Resolution | 22.000 - 1.900 |
R-factor | 0.1363 |
Rwork | 0.135 |
R-free | 0.16940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vmj |
RMSD bond length | 0.020 |
RMSD bond angle | 1.948 |
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 | 1.890 |
High resolution limit [Å] | 1.860 | 5.050 | 1.860 |
Rmerge | 0.050 | 0.032 | 0.354 |
Number of reflections | 32337 | ||
<I/σ(I)> | 20.3 | ||
Completeness [%] | 94.0 | 83.5 | 94.1 |
Redundancy | 2.2 | 2.4 | 2.2 |
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 |