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 |
