6A2J

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)	1.0
Spacegroup name	H 3
Unit cell lengths	90.465, 90.465, 147.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.031 - 2.200
R-factor	0.2076
Rwork	0.206
R-free	0.22870
Structure solution method	MIRAS
RMSD bond length	0.017
RMSD bond angle	2.010
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE (2.13)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.031	29.031	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.126	0.048	1.230
Rmeas	0.140	0.053	1.372
Number of reflections	22834	720	3385
<I/σ(I)>	8.02	26.88	1.2
Completeness [%]	99.9	99.6	99.7
Redundancy	5.242	5.244	5.092
CC(1/2)	0.997	0.997	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	30% PEG 600, 0.1M sodium chloride, 0.1M lithium sulfate, 0.1M sodium HEPES pH 7.4
1	LIPIDIC CUBIC PHASE	7	293	30% PEG 600, 0.1M sodium chloride, 0.1M lithium sulfate, 0.1M sodium HEPES pH 7.4