7C6R

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

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	2019-07-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.230, 63.230, 110.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.040 - 1.960
R-factor	0.233
Rwork	0.230
R-free	0.29160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.011
RMSD bond angle	1.803
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]	58.230	58.230	2.160
High resolution limit [Å]	1.960	8.910	1.960
Rmerge	0.132	0.096	0.468
Rmeas	0.141	0.104	0.498
Rpim	0.048	0.037	0.167
Total number of observations		2693	15215
Number of reflections	22403	379	1863
<I/σ(I)>	10.3	17.1	3.6
Completeness [%]	92.0	99.1	94.9
Redundancy	8.6	7.1	8.2
CC(1/2)	0.992	0.989	0.912

Crystallization Conditions

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