4NWZ
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.5A 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 | 2013-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.791, 114.477, 130.594 |
| Unit cell angles | 90.00, 92.04, 90.00 |
Refinement procedure
| Resolution | 64.610 - 2.500 |
| R-factor | 0.21962 |
| Rwork | 0.217 |
| R-free | 0.26864 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g6g |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.144 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.300 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.132 |
| Number of reflections | 73752 | |
| <I/σ(I)> | 15.8 | 1.1 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.12M mixture of 1,6-hexanediol,1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol, 0.1M Tris-Bicine pH 8.5, 30% glycerol, PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
