6M26

Sirohydrochlorin nickelochelatase CfbA in P212121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.48644
Spacegroup name	P 21 21 21
Unit cell lengths	63.430, 64.380, 69.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.170 - 2.610
R-factor	0.1993
Rwork	0.196
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xws
RMSD bond length	0.010
RMSD bond angle	1.971
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.170	47.170	2.710
High resolution limit [Å]	2.610	10.000	2.610
Rmerge	0.192	0.065	0.950
Rmeas	0.200	0.067	0.997
Total number of observations	219102
Number of reflections	9065	297	1783
<I/σ(I)>	12.78	33.94	2.33
Completeness [%]	100.0	100	99.8
Redundancy	13.139	13.758	10.963
CC(1/2)	0.997	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	0.2M ammonium formate, 20 % (w/v) PEG 3350