7C6G

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to gentiobiose

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	2019-02-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.340, 91.540, 69.390
Unit cell angles	90.00, 112.51, 90.00

Refinement procedure

Resolution	48.750 - 1.900
R-factor	0.1761
Rwork	0.173
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.014
RMSD bond angle	1.920
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]	48.750	48.750	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.085	0.065	0.431
Rmeas	0.096	0.074	0.485
Rpim	0.043	0.035	0.219
Total number of observations	252521	2442	14977
Number of reflections	53435	535	3258
<I/σ(I)>	10.6	19.3	2.8
Completeness [%]	94.5	98.7	89.3
Redundancy	4.7	4.6	4.6
CC(1/2)	0.995	0.992	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M Ammonium sulphate, 45% PEG 8000