7C6M

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

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	2019-07-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.320, 62.930, 110.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.130 - 1.900
R-factor	0.1811
Rwork	0.178
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.014
RMSD bond angle	1.928
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]	58.320	58.320	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.080	0.035	0.496
Rmeas	0.085	0.038	0.527
Rpim	0.028	0.014	0.175
Total number of observations	279959	2660	17278
Number of reflections	32723	362	2063
<I/σ(I)>	15.8	35.7	3.5
Completeness [%]	99.9	99.5	99.6
Redundancy	8.6	7.3	8.4
CC(1/2)	0.998	0.998	0.920

Crystallization Conditions

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