8J3X

Crystal structure of CBM6E from Saccharophagus degradans

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	2020-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 2
Unit cell lengths	84.807, 146.033, 76.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 2.400
R-factor	0.1848
Rwork	0.182
R-free	0.23270
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.680	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.146	1.003
Rmeas	0.156	1.068
Rpim	0.054	0.362
Total number of observations	301592	32511
Number of reflections	37821	3916
<I/σ(I)>	10.7	1.9
Completeness [%]	99.5
Redundancy	8	8.3
CC(1/2)	0.996	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.2 M ammonium sulfate, 0.1 M bis-tris, pH 5.5, 25% (w/v) polyethylene glycol 3,350