1OS2

Ternary enzyme-product-inhibitor complexes of human MMP12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-09
Detector	MARRESEARCH
Wavelength(s)	0.9322
Spacegroup name	P 31
Unit cell lengths	123.839, 123.839, 69.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 * - 2.150
R-factor	0.21455
Rwork	0.212
R-free	0.26000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jk3
RMSD bond length	0.030 *
RMSD bond angle	2.600 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.80)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.076	0.076 *
Total number of observations	471410 *
Number of reflections	64964
<I/σ(I)>	7.3	1.9
Completeness [%]	100.0 *	100 *
Redundancy	7.2	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	20 *	Tris, PEG6000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	PEG6000	30 (%)
3	1	reservoir		2 (mM)
4	1	reservoir	AHA	200 (mM)	pH8.0
5	1	drop	protein	8 (mg/ml)