4K1W
Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate
Replaces: 3R4EExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 116.223, 165.363, 167.197 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.214 - 1.646 |
R-factor | 0.1582 |
Rwork | 0.157 |
R-free | 0.18360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qjj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.070 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.214 |
High resolution limit [Å] | 1.646 |
Number of reflections | 191348 |
Completeness [%] | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG400, 0.1M HEPES, 0.2M SODIUM CHLORIDE, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |