8WC1

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)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	39.957, 52.190, 71.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.820 - 1.300
R-factor	0.1717
Rwork	0.171
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.897
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]	42.060	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.061	0.297
Rmeas	0.067	0.328
Rpim	0.026	0.137
Total number of observations	230563	10763
Number of reflections	37307	1819
<I/σ(I)>	18.1	5.6
Completeness [%]	99.9
Redundancy	6.2	5.9
CC(1/2)	0.998	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	28% w/v PEG MME 2000, 0.1M Bis-Tris pH6.5