6IED

Crystal structure of heme A synthase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	15
Detector technology	PIXEL
Collection date	2017-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.75
Spacegroup name	H 3
Unit cell lengths	90.528, 90.528, 147.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.000
Rwork	0.233
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a2j
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.277	0.073	1.130
Rmeas	0.284	0.075	1.160
Rpim	0.064	0.017	0.260
Total number of observations	178985
Number of reflections	8987	902	896
<I/σ(I)>	2
Completeness [%]	100.0	100	100
Redundancy	19.9	20.1	19.7
CC(1/2)		1.000	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	30% PEG 600, 0.1M sodium chloride, 0.1M lithium sulfate, 0.1M sodium HEPES pH 7.4