3WZY
S266A mutant 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 | 102.314, 57.417, 75.362 |
Unit cell angles | 90.00, 118.81, 90.00 |
Refinement procedure
Resolution | 36.180 - 1.550 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vmj |
RMSD bond length | 0.023 |
RMSD bond angle | 2.201 |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.063 | 0.033 | 0.535 |
Rmeas | 0.040 | 0.658 | |
Rpim | 0.022 | 0.372 | |
Number of reflections | 50565 | ||
<I/σ(I)> | 13.5 | ||
Completeness [%] | 90.6 | 82.3 | 92.5 |
Redundancy | 2.7 | 2.9 | 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 |