8XMZ

Crystal structure of a novel porphyran-binding carbohydrate binding module

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 65 2 2
Unit cell lengths	95.614, 95.614, 215.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.950 - 2.500
R-factor	0.2635
Rwork	0.260
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.653
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]	47.810	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.091	1.158
Rmeas	0.094	1.188
Rpim	0.021	0.264
Total number of observations	398629	45470
Number of reflections	21013	2302
<I/σ(I)>	26.3	3.5
Completeness [%]	99.9
Redundancy	19	19.8
CC(1/2)	1.000	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 30% w/v Polyethylene glycol monomethyl ether 5,000