6P0W

LsfA from P. aeruginosa, a 1-Cys Prx in reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 61 2 2
Unit cell lengths	82.427, 82.427, 102.859
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.740 - 2.400
R-factor	0.2065
Rwork	0.203
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prx
RMSD bond length	0.008
RMSD bond angle	1.594
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.740	2.490
High resolution limit [Å]	2.400	2.400
Rpim	0.226	1.786
Number of reflections	8552	8588
<I/σ(I)>	2.28
Completeness [%]	99.9
Redundancy	35.92
CC(1/2)	0.996	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	PEG 3000, Phosphate citrate, sodium chloride