2E2D

Flexibility and variability of TIMP binding: X-ray structure of the complex between collagenase-3/MMP-13 and TIMP-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	72.526, 72.526, 181.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.770 - 2.000
R-factor	0.20144
Rwork	0.200
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	830c
RMSD bond length	0.014
RMSD bond angle	1.626
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.770	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.498
Number of reflections	36318
<I/σ(I)>	25.1	0.031
Completeness [%]	1.0	0.999
Redundancy	8.6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM MES, 200 mM magnesium acetate, 20 % PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	100 mM MES, 200 mM magnesium acetate, 20 % PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K