7C6V

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-09-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	185.410, 185.410, 74.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.280 - 2.800
R-factor	0.1889
Rwork	0.187
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.013
RMSD bond angle	1.841
Data reduction software	MOSFLM (7.2.2)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.280	80.280	3.060
High resolution limit [Å]	2.800	9.170	2.800
Rmerge	0.108	0.039	0.438
Rmeas	0.113	0.041	0.461
Rpim	0.034	0.012	0.144
Total number of observations		12584	47589
Number of reflections	34597	1111	4705
<I/σ(I)>	19.1	40	5.3
Completeness [%]	100.0	99.8	100
Redundancy	11.1	11.3	10.1
CC(1/2)	0.999	0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M Ammonium sulphate, 40% PEG 8000