9PMY

Crystal Structure of an ATP-Binding Cassette (ABC) Transporter Associated, Xyloglucan-Binding Protein from the Extremely Thermophilic, Lignocellulose Degrading Bacterium Anaerocellum (f. Caldicellulosiruptor) bescii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 1 21 1
Unit cell lengths	43.291, 129.997, 111.249
Unit cell angles	90.00, 93.61, 90.00

Refinement procedure

Resolution	29.840 - 2.430
R-factor	0.1668
Rwork	0.164
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840	2.490
High resolution limit [Å]	2.430	2.430
Rmerge	0.095	0.775
Rmeas	0.107	0.880
Rpim	0.049	0.411
Total number of observations	219243	14799
Number of reflections	46233	3328
<I/σ(I)>	10.4	1.7
Completeness [%]	99.6
Redundancy	4.7	4.4
CC(1/2)	0.997	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	PEG 8000, Potassium Phosphate, Tris, NaCl