5A2D
CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH SHOWING A THIOHEMIACETAL WITH BETAINE ALDEHYDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-12 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 69.720, 82.286, 87.717 |
Unit cell angles | 79.41, 84.75, 77.40 |
Refinement procedure
Resolution | 28.700 - 1.980 |
R-factor | 0.1961 |
Rwork | 0.194 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a0m |
RMSD bond length | 0.010 |
RMSD bond angle | 1.357 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 2.090 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.080 | 0.620 |
Number of reflections | 126693 | |
<I/σ(I)> | 7.2 | 2.2 |
Completeness [%] | 97.4 | 96.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | POLYETHYLENE GLYCOL 3350 20% (V/V), 0.2 M MAGNESIUM FORMATE DIHYDRATE, pH 7 |