7C6L

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (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	2019-04-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.000, 100.340, 133.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.610 - 2.400
R-factor	0.1947
Rwork	0.191
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.013
RMSD bond angle	1.780
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]	66.610	66.610	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.131	0.054	0.517
Rmeas	0.142	0.059	0.563
Rpim	0.054	0.023	0.219
Total number of observations	217551	4512	20686
Number of reflections	32723	726	3337
<I/σ(I)>	11.4	22.8	3.6
Completeness [%]	99.9	99.9	99.5
Redundancy	6.6	6.2	6.2
CC(1/2)	0.994	0.996	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M Ammonium sulphate, 60% PEG 8000