9KTA

Bacillus subtilis CpfC (HemH) Y13C variant

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	2022-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	48.620, 49.820, 118.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.920 - 1.000
R-factor	0.1803
Rwork	0.180
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.061
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.920	45.920	1.100
High resolution limit [Å]	1.000	10.000	1.000
Rmerge	0.125	0.074	1.282
Rmeas	0.136	0.083	1.406
Number of reflections	155655	192	38293
<I/σ(I)>	7.68
Completeness [%]	100.0
Redundancy	3.3		3.1
CC(1/2)	0.994	0.991	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M MgCl2, 0.05M Bis-Tris, 12.5%(w/v) PEG3350