9FE5
Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking
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 | 63.184, 116.158, 189.651 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.948 - 2.100 |
Rwork | 0.180 |
R-free | 0.22000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200131) |
Data scaling software | Aimless (0.7.15) |
Phasing software | REFMAC (5.8.0425) |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.948 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.064 | 0.476 |
Number of reflections | 82223 | 4445 |
<I/σ(I)> | 8.5 | 1.9 |
Completeness [%] | 99.8 | |
Redundancy | 6 | |
CC(1/2) | 0.996 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | 100 mM BisTris pH 6.5, 1.4 M ammonium sulfate, 100 mM NaCl |