3M0K
Structure of oxaloacetate acetylhydrolase in complex with the product oxalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.131, 82.131, 72.717 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.650 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lye |
RMSD bond length | 0.005 |
RMSD bond angle | 0.862 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.076 | 0.510 |
Number of reflections | 30472 | |
<I/σ(I)> | 22.3 | 3 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 11 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | LIGAND-FREE PROTEIN CRYSTAL GROWN IN SOLUTION CONTAINING 30% PEG 400, 0.1 M HEPES pH7.5, 0.2 M CaCl2, THEN SOAKED IN MOTHER LIQUOR CONTAINING 0.2M MNCL2 AND 50 mM OXALOACETATE (the substrate) FOR 15 min, VAPOR DIFFUSION, HANGING DROP, temperature 298K |