6G9E

Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU

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	220.063, 172.618, 138.564
Unit cell angles	90.00, 128.41, 90.00

Refinement procedure

Resolution	45.610 - 2.690
R-factor	0.193
Rwork	0.193
R-free	0.24910
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]	45.610	45.610	2.740
High resolution limit [Å]	2.690	14.750	2.690
Rmerge	0.267	0.066	1.303
Rmeas	0.310	0.079	1.517
Rpim	0.155	0.041	0.767
Number of reflections	110673	686	4952
<I/σ(I)>	4.2
Completeness [%]	99.0	95.6	89.5
Redundancy	3.9	3.4	3.7
CC(1/2)	0.967	0.991	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	100mM Tris, 200mM Magnesium chloride hexahydrate, 10% PEG 8000