2RJP

Crystal structure of ADAMTS4 with inhibitor bound

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794, 0.9795, 0.9649
Spacegroup name	P 1 21 1
Unit cell lengths	82.566, 82.618, 99.326
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.209
Rwork	0.206
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.118
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.800	2.800
Number of reflections	33154
<I/σ(I)>		1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10% PEG 4000, 0.1M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K