3CKI

Crystal structure of the TACE-N-TIMP-3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-13
Detector	MAR CCD 165 mm
Spacegroup name	P 43 21 2
Unit cell lengths	70.447, 70.447, 156.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.590 - 2.300
R-factor	0.234
Rwork	0.234
R-free	0.28400
Structure solution method	MAD
Starting model (for MR)	1bkc
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	16708
<I/σ(I)>	31.6	8.2
Completeness [%]	91.0	98.9
Redundancy	3.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5	309	100 mM sodium acetate/acetic acid, 25% polyethylene glycol 3,350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 309K
1		4.5	309	100 mM sodium acetate/acetic acid, 25% polyethylene glycol 3,350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 309K