5WED
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.15A 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 | 2015-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.804, 113.570, 129.781 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 48.867 - 2.150 |
| R-factor | 0.2094 |
| Rwork | 0.208 |
| R-free | 0.23790 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.716 |
| 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] | 48.900 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.092 | 0.696 |
| Rpim | 0.075 | 0.610 |
| Number of reflections | 105403 | 5541 |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 91.9 | 98 |
| Redundancy | 4.1 | 3.1 |
| CC(1/2) | 0.982 | 0.566 |
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, 150 mM D,L-LYSINE, 10 mM MENADIONE |
