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