4V3F
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-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-13 |
Detector | ADSC QUANTUM 210r |
Spacegroup name | P 1 |
Unit cell lengths | 69.440, 82.256, 88.516 |
Unit cell angles | 79.44, 84.89, 77.32 |
Refinement procedure
Resolution | 28.968 - 1.998 |
R-factor | 0.1968 |
Rwork | 0.196 |
R-free | 0.21140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a0m |
RMSD bond length | 0.009 |
RMSD bond angle | 1.259 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.048 | 0.268 |
Number of reflections | 122131 | |
<I/σ(I)> | 9.1 | 2.3 |
Completeness [%] | 96.1 | 88 |
Redundancy | 2.4 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | AMMONIUM IODIDE 0.2 M, POLY ETHYLENE GLYCOL 3350 20% (W/V), PH 6.2 |