7C6N

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotetraose (Form II)

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	2019-07-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.850, 100.170, 133.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.530 - 2.050
R-factor	0.1641
Rwork	0.161
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c63
RMSD bond length	0.014
RMSD bond angle	1.829
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]	66.620	66.530	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.092	0.036	0.465
Rmeas	0.097	0.038	0.495
Rpim	0.032	0.013	0.166
Total number of observations		5945	31718
Number of reflections	50982	733	3827
<I/σ(I)>	17.1	38.4	4.4
Completeness [%]	98.5	99.8	96.6
Redundancy	8.8	8.1	8.3
CC(1/2)	0.998	0.999	0.924

Crystallization Conditions

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