8X8H

A carbohydrate binding domain of a putative pectate lyase

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	2023-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 41 21 2
Unit cell lengths	81.100, 81.100, 251.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.900 - 2.000
R-factor	0.1634
Rwork	0.162
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.750	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.472
Rmeas	0.071	0.492
Rpim	0.020	0.137
Total number of observations	747451	53996
Number of reflections	58037	4239
<I/σ(I)>	23.7	5.1
Completeness [%]	100.0
Redundancy	12.9	12.7
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% w/v PEG 6000, 0.1M Citric acid pH4.0, 1M Lithium chloride