7VBO

Alginate binding domain CBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-12
Detector	ADSC QUANTUM 1
Wavelength(s)	0.97928
Spacegroup name	C 2 2 21
Unit cell lengths	31.587, 92.584, 122.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.330 - 1.500
R-factor	0.1809
Rwork	0.180
R-free	0.19430
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.871
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.330	19.470	1.530
High resolution limit [Å]	1.350	8.230	1.350
Rmerge	0.051	0.045	0.294
Rmeas	0.053	0.047	0.313
Rpim	0.014	0.013	0.103
Total number of observations		2378	9740
Number of reflections	37994	197	1226
<I/σ(I)>	35	80.7	5.1
Completeness [%]	99.3	92.4	86.9
Redundancy	12.8	12.1	7.9
CC(1/2)	1.000	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	298	1.8 M lithium sulfate