7QU3

X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa

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	2020-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	49.543, 57.669, 101.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.520 - 1.600
R-factor	0.1724
Rwork	0.171
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uaj
RMSD bond length	0.015
RMSD bond angle	1.311
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]	44.520	44.520	1.800
High resolution limit [Å]	1.600	10.000	1.600
Rmerge	0.067	0.029	1.023
Rmeas	0.069	0.031	1.067
Total number of observations	511924
Number of reflections	38938	196	11318
<I/σ(I)>	20.13	60.7	2.58
Completeness [%]	99.2	99	97.7
Redundancy	13.147	10.531	12.438
CC(1/2)	1.000	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	0.1M MES, PEG 4000, 0.2 M MgCl2