2RJQ

Crystal structure of ADAMTS5 with inhibitor bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00000
Spacegroup name	P 31 2 1
Unit cell lengths	95.471, 95.471, 93.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.231
Rwork	0.230
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rjp
RMSD bond length	0.006
RMSD bond angle	0.899
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	13624
Redundancy		2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10% PEG 8000, 0.2 M Ammonium sulfate, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K