4V37
Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-19 |
| Detector | ADSC Q270 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.296, 80.372, 85.833 |
| Unit cell angles | 82.07, 86.40, 79.06 |
Refinement procedure
| Resolution | 24.484 - 2.100 |
| R-factor | 0.1691 |
| Rwork | 0.167 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a0m |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.352 |
| 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] | 24.480 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.480 |
| Number of reflections | 100653 | |
| <I/σ(I)> | 14.8 | 3.4 |
| Completeness [%] | 97.2 | 95 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | AMMONIUM FORMATE 0.2M, POLYETHYLENEGLYCOL 3350 20%., pH 6.6 |
