4QYJ
Structure of Phenylacetaldehyde Dehydrogenase from Pseudomonas putida S12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-03-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 112.090, 118.690, 304.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.990 - 2.830 |
R-factor | 0.22386 |
Rwork | 0.254 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.535 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.830 | 2.830 |
Number of reflections | 89099 | |
Completeness [%] | 95.7 | 98.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 278 | 100-200 mM trisodium citrate, pH 8.5 and 12-16% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 278K |