5NR8

Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8
Spacegroup name	P 21 21 2
Unit cell lengths	85.897, 106.006, 42.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.349
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	30.090
High resolution limit [Å]	1.349
Number of reflections	83374
<I/σ(I)>	34.08
Completeness [%]	97.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	25% (w/v) polyethylene glycol (PEG) 3350, 200 mM potassium sodium tartrate (PST) at pH 7.2