5JFL
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00001 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.393, 154.796, 126.594 |
Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
Resolution | 33.643 - 2.300 |
R-factor | 0.1896 |
Rwork | 0.189 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c3s |
RMSD bond length | 0.004 |
RMSD bond angle | 0.613 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.643 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.132 | 0.868 |
Number of reflections | 357425 | |
<I/σ(I)> | 10.9 | 2.7 |
Completeness [%] | 98.9 | 98 |
Redundancy | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 50 mM sodium citrate, pH 4.8, 4% w/v PEG8000, 5 mM NAD+ |