6EPB

Structure of Chitinase 42 from Trichoderma harzianum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97929
Spacegroup name	P 41 21 2
Unit cell lengths	68.353, 68.353, 178.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.820 - 1.750
R-factor	0.18563
Rwork	0.184
R-free	0.21908
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g6l
RMSD bond length	0.009
RMSD bond angle	1.308
Data reduction software	XDS (0.52)
Data scaling software	Aimless (7.0.029)
Phasing software	MOLREP (7.0.029)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.350	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.074	0.601
Rmeas	0.081	0.651
Rpim	0.032	0.249
Number of reflections	43534	2325
<I/σ(I)>	16.9	3.6
Completeness [%]	99.8	99.3
Redundancy	6.4	6.6
CC(1/2)	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	22% PEG 3000, 0.1 M Imidazole pH 8, 0.2 M Zinc acetate. Cryoprotectant mother liquor supplemented with 20 % ethylene glycol