7W7C

Heme exporter in the unliganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.35000
Spacegroup name	P 21 21 2
Unit cell lengths	59.752, 100.550, 191.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.621 - 2.800
R-factor	0.2199
Rwork	0.218
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LLI
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.055	0.023	0.215
Rmeas	0.057	0.024	0.236
Rpim	0.017	0.007	0.092
Total number of observations	345399
Number of reflections	31536	1899	1043
<I/σ(I)>	11
Completeness [%]	91.8	100	62.1
Redundancy	11	12.2	5.7
CC(1/2)		0.997	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	21% PEG 2000, 0.1 M NaCl, 0.2 M NH4 sulfate, 3 mM CHAPS, 5 mM CuCl2, 0.1 M Na citrate pH 6.0