7C6K

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (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	2019-07-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.580, 62.960, 109.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.940 - 1.770
R-factor	0.1682
Rwork	0.166
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.013
RMSD bond angle	1.949
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]	58.580	58.580	1.810
High resolution limit [Å]	1.770	9.040	1.770
Rmerge	0.064	0.034	0.493
Rmeas	0.068	0.036	0.525
Rpim	0.022	0.013	0.177
Total number of observations	355851	2843	18113
Number of reflections	39933	372	2178
<I/σ(I)>	21.2	46.7	4
Completeness [%]	99.4	99.9	96.9
Redundancy	8.9	7.6	8.3
CC(1/2)	0.999	0.999	0.910

Crystallization Conditions

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