4WKE

Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	40.275, 68.035, 74.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.700 - 1.620
R-factor	0.1882
Rwork	0.187
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.199
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	21.720
High resolution limit [Å]	1.620
Number of reflections	26956
<I/σ(I)>	6.61
Completeness [%]	99.3
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, Bis-Tris