6G9C

Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	196.083, 52.613, 93.450
Unit cell angles	90.00, 108.79, 90.00

Refinement procedure

Resolution	46.115 - 1.740
R-factor	0.1757
Rwork	0.175
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hbf
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.410	46.410	1.770
High resolution limit [Å]	1.740	9.530	1.740
Rmerge	0.084	0.024	2.427
Rmeas	0.093	0.026	2.685
Rpim	0.038	0.011	1.129
Number of reflections	92411	622	4506
<I/σ(I)>	10.9
Completeness [%]	99.5	98.7	99.3
Redundancy	5.6	5.2	5.4
CC(1/2)	0.999	0.998	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	100mM Bis_Tris, 200mM Ammonium sulfate, 25% PEG 3350