7TOJ

Crystal structure of carbohydrate esterase CspAcXE, apoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-18
Detector	RAYONIX MX-300
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	120.160, 77.310, 42.080
Unit cell angles	90.00, 96.89, 90.00

Refinement procedure

Resolution	35.360 - 1.300
R-factor	0.1417
Rwork	0.141
R-free	0.16360
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	HKL-3000
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.330	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.067	1.598
Rpim	0.025	0.648
Number of reflections	93360	6902
<I/σ(I)>	15	0.536
Completeness [%]	99.7	99.5
Redundancy	9.4	7
CC(1/2)	0.999	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20 mM acetylated xylooligosaccharides, 30% (w/v) Jeffamine ED-2001 pH 7.0