5TTJ
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.973, 61.564, 92.277 |
Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
Resolution | 92.188 - 2.200 |
R-factor | 0.1764 |
Rwork | 0.175 |
R-free | 0.23110 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.981 |
Data scaling software | XDS |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.270 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.084 | 0.246 |
Number of reflections | 38640 | |
<I/σ(I)> | 13.7 | 5.6 |
Completeness [%] | 99.2 | 99.5 |
Redundancy | 3.4 | |
CC(1/2) | 0.990 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 290 | 4% v/v 2-propanol, 0.1 M BIS-TRIS propane pH 9.0 and 20% w/v polyethylene glycol (PEG) |