6O14

Crystal structure of the Aquifex aeolicus Wzt Carbohydrate Binding Domain

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	2018-03-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 63
Unit cell lengths	128.345, 128.345, 45.158
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.643 - 2.650
R-factor	0.1828
Rwork	0.180
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r5o
RMSD bond length	0.008
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.650	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.200	1.140
Rpim	0.060	0.360
Number of reflections	12535	2392
<I/σ(I)>	6.9	1.5
Completeness [%]	99.8
Redundancy	9.2
CC(1/2)	0.989	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.1 M MOPS pH 7, 1.5 M sodium acetate