7W7A

Heme exporter in complex with Mn-containing protoporphyrin IX, Mn-anomalous data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-11
Detector	RAYONIX MX225-HS
Wavelength(s)	1.89000
Spacegroup name	P 1
Unit cell lengths	82.488, 133.672, 159.838
Unit cell angles	111.81, 99.83, 94.43

Refinement procedure

Resolution	48.820 - 3.204
R-factor	0.2652
Rwork	0.264
R-free	0.30290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LLI
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.820	48.820	3.400
High resolution limit [Å]	3.200	9.450	3.200
Rmerge	0.128	0.032	1.640
Rmeas	0.149	0.037	1.896
Total number of observations	778250
Number of reflections	196361	7805	30368
<I/σ(I)>	7.75	32.88	0.98
Completeness [%]	96.6	98.3	92.9
Redundancy	3.963	3.854	3.973
CC(1/2)	0.998	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	22% PEG 3000, 0.2 M Mg acetate, 0.2 M KCl, 0.1 M HEPES pH 7.0