1JJ9

Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	275
Detector technology	AREA DETECTOR
Collection date	1996-06-27
Detector	XENTRONICS
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	61.020, 69.230, 88.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.211 *
Rwork	0.211
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.700 *
Data reduction software	X-GEN
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.093 *	0.410 *
Number of reflections	14371
Completeness [%]	85.0	85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	291	PEG6000, 10mM CaCl2, 100mM NaCl, Cacodylate pH6.0, VAPOR DIFFUSION, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.6 (mg/ml)
2	1	drop	cacodylate	40 (mM)
3	1	drop		4 (mM)
4	1	drop		40 (mM)
5	1	drop	PEG6000	4 (%)
6	1	reservoir	phosphate	0.5-0.6 (M)