7C6I

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

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	2018-12-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.640, 92.060, 70.010
Unit cell angles	90.00, 112.85, 90.00

Refinement procedure

Resolution	54.900 - 1.700
R-factor	0.1677
Rwork	0.166
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.014
RMSD bond angle	1.984
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]	54.900	54.900	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.092	0.094	0.405
Rmeas	0.103	0.105	0.463
Rpim	0.046	0.046	0.217
Total number of observations	377894	2568	17665
Number of reflections	80275	570	4085
<I/σ(I)>	11.1	19.7	2.9
Completeness [%]	99.8	99.6	96.5
Redundancy	4.7	4.5	4.3
CC(1/2)	0.993	0.988	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.2 M Ammonium sulphate, 50% PEG 8000