7QU0
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.90 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 98.840, 98.840, 88.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.180 - 1.620 |
R-factor | 0.1687 |
Rwork | 0.168 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uaj |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.180 | 43.180 | 1.800 |
High resolution limit [Å] | 1.620 | 10.000 | 1.620 |
Rmerge | 0.121 | 0.024 | 1.848 |
Rmeas | 0.123 | 0.024 | 1.885 |
Number of reflections | 55906 | 287 | 14619 |
<I/σ(I)> | 22.28 | 100.42 | 2.04 |
Completeness [%] | 99.3 | 95.7 | 97.3 |
Redundancy | 26.43 | 20.812 | 26.4 |
CC(1/2) | 1.000 | 1.000 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 1.75 M tri-ammonium citrat, 0.1 M LiSO4 |