8IQ9

Crystal structure of trimeric K2-2 TSP in complex with tetrasaccharide and octasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-05
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	204.405, 86.357, 103.420
Unit cell angles	90.00, 110.21, 90.00

Refinement procedure

Resolution	26.950 - 1.580
R-factor	0.1436
Rwork	0.143
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8iq5
RMSD bond length	0.009
RMSD bond angle	1.035
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.055	0.579
Rmeas	0.065	0.677
Rpim	0.033	0.348
Number of reflections	230579	22985
<I/σ(I)>	26.6
Completeness [%]	100.0	99.9
Redundancy	3.8	3.7
CC(1/2)		0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.1 M Bicine pH 9.0, 22 % PEG-6000