6J9U
Complex structure of Lactobacillus casei lactate dehydrogenase penta mutant with pyruvate
Replaces: 3VPFExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 165.320, 82.800, 180.150 |
Unit cell angles | 90.00, 91.52, 90.00 |
Refinement procedure
Resolution | 46.900 - 2.790 |
R-factor | 0.19302 |
Rwork | 0.191 |
R-free | 0.22667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zqz |
RMSD bond length | 0.013 |
RMSD bond angle | 1.569 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.120 | 0.581 |
Number of reflections | 58891 | 8449 |
<I/σ(I)> | 9.2 | 2.5 |
Completeness [%] | 97.5 | 96.3 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 100mM sodium citrate, 200mM potassium sodium tartrate, 1.6M ammonium sulfate, 10mM sodium pyruvate |