7QTY
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 98.545, 98.545, 89.595 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.270 - 1.690 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4UAJ |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.270 | 49.270 | 1.800 |
High resolution limit [Å] | 1.690 | 10.000 | 1.690 |
Rmerge | 0.100 | 0.033 | 1.800 |
Rmeas | 0.102 | 0.033 | 2.182 |
Number of reflections | 50089 | 298 | 8462 |
<I/σ(I)> | 21.71 | 64.34 | 2.43 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 20 | 21.893 | 20 |
CC(1/2) | 0.999 | 1.000 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 1.75 M tri-ammonium citrat, 0.1 M LiSO4 |