8JS7

Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	188.854, 199.313, 270.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.830 - 2.850
R-factor	0.2174
Rwork	0.216
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.153
Data reduction software	XDS
Data scaling software	XDS (20180808)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.020
High resolution limit [Å]	2.850	2.850
Rmeas	0.160	1.690
Number of reflections	117838	36309
<I/σ(I)>	10.5	1.04
Completeness [%]	99.7	98
Redundancy	7.21	7.25
CC(1/2)	0.998	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.5 M Ammonium sulfate, 0.1 M Sodium Acetate, 10 mM Imidazole