8DKY

Crystal structure of the Aquifex aeolicus Wzt Carbohydrate Binding Domain bound to 3-O-methyl-D-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.561, 58.169, 95.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.640 - 1.610
R-factor	0.2612
Rwork	0.260
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o14
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.320	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.087	0.782
Rpim	0.037	0.355
Number of reflections	41212	1844
<I/σ(I)>	12	2
Completeness [%]	99.3	91.7
Redundancy	6.8	5.6
CC(1/2)		0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	277	20% PEG 3350, 0.1M Tricine pH 8.8