9FDJ
Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.241, 116.156, 189.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.932 - 1.700 |
| Rwork | 0.158 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200131) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.932 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.034 | 0.427 |
| Number of reflections | 153510 | 7516 |
| <I/σ(I)> | 11.6 | 1.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.999 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 281 | 100 mM BisTris pH 6.3, 1.4 M ammonium sulfate, 100 mM NaCl |
