4WJX

Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution

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	2013-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8
Spacegroup name	P 21 21 2
Unit cell lengths	85.690, 105.749, 41.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.259 - 1.000
R-factor	0.1358
Rwork	0.135
R-free	0.14750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1guv
RMSD bond length	0.005
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1255))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.040
High resolution limit [Å]	1.000	1.000
Number of reflections	188444
<I/σ(I)>	27.5	1.77
Completeness [%]	92.5	48.18
Redundancy	6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	25 % (w/v) polyethylene glycol (PEG) 3350, 0.2 M potassium sodium tartrate (PST) at pH 7.2