5KMR
The structure of type II NADH dehydrogenase from Caldalkalibacillus thermarum complexed with NAD+ at 3.0 angstrom resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2015-10-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.061, 114.206, 130.957 |
Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
Resolution | 43.637 - 3.000 |
R-factor | 0.2382 |
Rwork | 0.237 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nwz |
RMSD bond length | 0.002 |
RMSD bond angle | 0.724 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.075 | 0.782 |
Number of reflections | 42174 | |
<I/σ(I)> | 12.9 | 1.8 |
Completeness [%] | 99.1 | 99.7 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Bicine/Tris buffer pH8.5 including 10% (v/v) PEG 4000, 25% (v/v) ethylene glycol and 10mM NAD+ |