6C4N
Pseudopaline dehydrogenase (PaODH) - NADP+ bound
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 | 2018-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.046, 53.634, 96.756 |
Unit cell angles | 90.00, 99.03, 90.00 |
Refinement procedure
Resolution | 38.170 - 1.950 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c4l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.141 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.500 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.070 | 0.777 |
Number of reflections | 64916 | 4435 |
<I/σ(I)> | 10.4 | |
Completeness [%] | 97.1 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM BisTris pH 5.45, 200 mM ammonium acetate, 26% (w/v) PEG 3350 |