6R7P
Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.410, 114.640, 187.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.730 - 3.220 |
R-factor | 0.2104 |
Rwork | 0.208 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q9k |
RMSD bond length | 0.005 |
RMSD bond angle | 1.321 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.210 | 38.210 | 3.480 |
High resolution limit [Å] | 3.220 | 8.520 | 3.220 |
Rmerge | 0.269 | 0.045 | 0.890 |
Rmeas | 0.291 | 0.049 | 0.964 |
Rpim | 0.110 | 0.020 | 0.367 |
Number of reflections | 22909 | 1305 | 4655 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 99.8 | 96.2 | 100 |
Redundancy | 6.7 | 5.1 | 6.8 |
CC(1/2) | 0.991 | 0.999 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 289 | (NH4)2SO4, BisTris, NaCl, cryo-protection with glycerol |