1RM8

Crystal structure of the catalytic domain of MMP-16/MT3-MMP: Characterization of MT-MMP specific features

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-04-07
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 2 2
Unit cell lengths	51.210, 51.210, 149.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.600 - 1.800
R-factor	0.20907
Rwork	0.208
R-free	0.23600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Pdb code 1bqq
RMSD bond length	0.014 *
RMSD bond angle	1.712
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]	16.600	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.083 *	0.327
Total number of observations	119029 *
Number of reflections	18455
<I/σ(I)>	5.5	2.2
Completeness [%]	96.7	91.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Tris-HCl, Sodium/potassium tartrate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Tris-HCl, Sodium/potassium tartrate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)	pH8.5
2	1	drop		100 (mM)
3	1	drop		5 (mM)
4	1	drop	cdMT3-MMP	10 (mg/ml)
5	1	drop	batimastat	0.5 (mg/ml)
6	1	reservoir	Tris-HCl	100 (mM)	pH8.7
7	1	reservoir	sodium phosphate-tartrate	1.1 (M)