1NWU

Crystal structure of human cartilage gp39 (HC-gp39) in complex with chitotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	120
Detector technology	CCD
Spacegroup name	P 43
Unit cell lengths	128.712, 128.712, 108.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.200
R-factor	0.225
Rwork	0.225
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	2.200	2.200
Rmerge	0.078 *	0.442 *
Total number of observations	572110 *
Number of reflections	107198
<I/σ(I)>	18.5	2.8
Completeness [%]	98.8	99.2
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.1	277	PEG8000, NaCl, Na-citrate buffer, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.10

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop		1 (M)
3	1	drop	BES	10 (mM)	pH7.2
4	1	reservoir	PEG8000	10 (%)
5	1	reservoir		0.5 (M)
6	1	reservoir	sodium citrate	0.1 (M)	pH5.1