3K2W
CRYSTAL STRUCTURE OF betaine-aldehyde dehydrogenase FROM Pseudoalteromonas atlantica T6c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2009-09-24 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.785, 163.718, 142.069 |
Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.27400 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.376 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 310867 | |
<I/σ(I)> | 3.7 | 0.5 |
Completeness [%] | 98.8 | 97 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 294 | 0.1M SODIUM ACETATE, PH 4.6, 30% PEG4000, 200MM AMMONIUM ACETATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |