6XYC

Truncated form of carbohydrate esterase from gut microbiota

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 43 21 2
Unit cell lengths	107.560, 107.560, 44.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 1.850
R-factor	0.1773
Rwork	0.176
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tkx
RMSD bond length	0.005
RMSD bond angle	0.701
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.840	1.960
High resolution limit [Å]	1.850	1.850
Rmeas	0.146
Number of reflections	22926	6826
<I/σ(I)>	11.26
Completeness [%]	99.8
Redundancy	6.984
CC(1/2)	0.998	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2 M Ammonium sulfate, 30 % PEG MME 5000, 0.1 M mes pH 6.0, protein concentration 12 mg/ml