6M2A

A non-His-rich type of chimeric sirohydrochlorin nickelochelatase CfbA from M. jannaschii and M. barkeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000
Spacegroup name	P 31
Unit cell lengths	50.210, 50.210, 90.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.480 - 2.230
R-factor	0.1952
Rwork	0.193
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xws
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.480	43.480	2.330
High resolution limit [Å]	2.230	10.000	2.230
Rmerge	0.174	0.081	0.879
Rmeas	0.184	0.085	0.956
Number of reflections	12499	137	1552
<I/σ(I)>	8.56	26.12	1.73
Completeness [%]	99.7	100	97.8
Redundancy	9.289	10.774	6.486
CC(1/2)	0.997	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.1M ammonium sulfate, 0.3M Na-formate, 0.1M Tris, 3% (w/v) gamma-PGA, 10% (w/v) PEG 2000 MME