9WGL

B. subtilis SufS WT - E. coli SufE variant with deletion of TQHL (residues 112-115)

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	2018-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 2 1
Unit cell lengths	112.910, 126.860, 126.810
Unit cell angles	90.00, 109.14, 90.00

Refinement procedure

Resolution	39.930 - 2.000
R-factor	0.1797
Rwork	0.178
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.692
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.121	0.834
Number of reflections	224668	30273
<I/σ(I)>	10.76	2.49
Completeness [%]	98.8	98
Redundancy	6.9	6.9
CC(1/2)	0.997	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Sodium phosphate, 12% (w/v) PEG 8000