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