7C6X

Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (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	2019-04-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	80.990, 116.400, 132.140
Unit cell angles	83.39, 88.73, 89.95

Refinement procedure

Resolution	82.190 - 2.650
R-factor	0.2442
Rwork	0.243
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.012
RMSD bond angle	1.622
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]	82.190	82.190	2.700
High resolution limit [Å]	2.650	14.510	2.650
Rmerge	0.264	0.110	0.432
Rmeas	0.309	0.128	0.507
Rpim	0.160	0.065	0.263
Total number of observations		3196	20071
Number of reflections	130991	830	6096
<I/σ(I)>	3.5	5.1	2
Completeness [%]	94.1	97.9	88.3
Redundancy	3.5	3.9	3.3
CC(1/2)	0.793	0.986	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Ammonium sulphate, 30% PEG 8000