7V36

The complex structure of soBcmB and its intermediate product 2a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 61 2 2
Unit cell lengths	100.905, 100.905, 132.771
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.693 - 1.960
R-factor	0.180069405563
Rwork	0.179
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3o
RMSD bond length	0.007
RMSD bond angle	0.879
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]	43.693	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.103	1.090
Number of reflections	28436	1990
<I/σ(I)>	13.9
Completeness [%]	97.8
Redundancy	7.2
CC(1/2)	0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl pH 8.0, 1.5M Ammonium sulfate