7QU5

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	2021-03-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	49.358, 59.908, 102.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.920 - 1.250
R-factor	0.1452
Rwork	0.144
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uaj
RMSD bond length	0.011
RMSD bond angle	1.081
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]	38.920	38.920	1.800
High resolution limit [Å]	1.250	10.000	1.250
Rmerge	0.065	0.023	0.503
Rmeas	0.068	0.024	0.527
Number of reflections	84539	202	55387
<I/σ(I)>	20.47	79.73	5.12
Completeness [%]	99.5	99	99.3
Redundancy	11.92	10.015	11.372
CC(1/2)	1.000	0.999	0.970

Crystallization Conditions

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