7C6H

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

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	2019-01-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	62.510, 92.250, 69.780
Unit cell angles	90.00, 112.42, 90.00

Refinement procedure

Resolution	54.620 - 1.850
R-factor	0.1705
Rwork	0.168
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.013
RMSD bond angle	1.849
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]	54.620	54.620	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.093	0.074	0.555
Rmeas	0.106	0.085	0.635
Rpim	0.050	0.041	0.304
Total number of observations	271996	2114	16488
Number of reflections	62461	553	3890
<I/σ(I)>	10.5	20.5	2.6
Completeness [%]	100.0	98.9	100
Redundancy	4.4	3.8	4.2
CC(1/2)	0.995	0.989	0.814

Crystallization Conditions

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