7V2U

The complex structure of SoBcmB and its product 2f

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03315
Spacegroup name	P 61 2 2
Unit cell lengths	101.224, 101.224, 131.898
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.881 - 2.000
R-factor	0.187814111561
Rwork	0.186
R-free	0.21494
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v2t
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.881	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.124	1.234
Number of reflections	27599	1988
<I/σ(I)>	29
Completeness [%]	99.9
Redundancy	37.8
CC(1/2)	1.000	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M HEPES pH 7.0, 1 M Ammonium sulfate, 1 M potassium chloride