7ZYA

Structure of Chit33 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	2018-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979190
Spacegroup name	P 21 21 21
Unit cell lengths	65.611, 66.909, 75.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 1.120
R-factor	0.1502
Rwork	0.150
R-free	0.16040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uy2
RMSD bond length	0.009
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (7.0.077)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.890	1.140
High resolution limit [Å]	1.120	1.120
Rmerge	0.037	0.698
Rmeas		0.763
Rpim	0.016	0.305
Number of reflections	127452	6255
<I/σ(I)>	20.9	2.6
Completeness [%]	99.8	99.9
Redundancy	6.4	6.2
CC(1/2)	0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 1500, 20% Glycerol. Soaking conditions: 23% PEG 1500, 20% Glycerol, 2mM Triacetyl-chitotriose. Cryoprotectant conditions: 30% PEG 1500, 20% glycerol.