7KMM

Crystal structure of XAC1771, a novel carbohydrate acetylesterase from Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.28
Spacegroup name	P 1 21 1
Unit cell lengths	77.852, 63.497, 88.284
Unit cell angles	90.00, 98.15, 90.00

Refinement procedure

Resolution	19.970 - 1.899
R-factor	0.1921
Rwork	0.190
R-free	0.23810
Structure solution method	SIRAS
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXS
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.970	2.010
High resolution limit [Å]	1.899	1.899
Number of reflections	126243	20260
<I/σ(I)>	12.01	1.36
Completeness [%]	95.6	94.6
Redundancy	7.133
CC(1/2)	0.998	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 mol/L Tris 20% PEG 6000 0.01 mol/L Zinc chloride