9XFU

Cycloisomaltooligosaccharide binding protein in complex with isomaltoheptaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.287, 68.703, 108.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 1.900
R-factor	0.1689
Rwork	0.167
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.144
Data reduction software	XDS (VERSION Jun 30, 2024)
Data scaling software	XSCALE (VERSION Jun 30, 2024)
Phasing software	PHASER (1.21.2_5419)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Rmeas	0.234	1.000
Number of reflections	37369	11300
<I/σ(I)>	8.87	1.75
Completeness [%]	99.8	98.8
Redundancy	10.6	9.3
CC(1/2)	0.995	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	9.2 mg/mL TdCIBP, 20 mM IG7, 0.2 M Li2SO4, 0.1 M Sodium acetate (pH4.5), 30 % (w/v) polyethylene glycol 8000