1D8M

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	1996-08-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.960, 78.590, 105.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.440
Rwork	0.277
R-free	0.31500
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.092	0.198
Number of reflections	11974
<I/σ(I)>	27.8
Completeness [%]	98.1	83.2
Redundancy	8.9	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.5	298	PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K