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Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 21 21 2
Unit cell lengths	81.089, 108.223, 36.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.300
R-factor	0.21507
Rwork	0.208
R-free	0.29459
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	830c
RMSD bond length	0.022
RMSD bond angle	2.064
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.060
Number of reflections	15989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP