7V2T

The complex structure of SoBcmB and its natural precursor 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97917
Spacegroup name	P 61 2 2
Unit cell lengths	100.990, 100.990, 131.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.145 - 2.200
R-factor	0.168385849607
Rwork	0.167
R-free	0.20076
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3o
RMSD bond length	0.007
RMSD bond angle	1.143
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]	47.145	2.270
High resolution limit [Å]	2.200	2.200
Rmerge		0.408
Number of reflections	20611	1627
<I/σ(I)>	31.7
Completeness [%]	99.2
Redundancy	12.3
CC(1/2)	0.999	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-tris pH 6.5, 0.1 M sodium chloride, 1.5 M Ammonium sulfate