6RLY

Human MMP12 (catalytic domain) in complex with AP316

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-14
Detector	OXFORD ONYX CCD
Wavelength(s)	1.540
Spacegroup name	P 21 21 2
Unit cell lengths	69.420, 63.020, 37.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.660 - 2.200
R-factor	0.1803
Rwork	0.178
R-free	0.22712
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rmz
RMSD bond length	0.014
RMSD bond angle	2.064
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.330
High resolution limit [Å]	2.200	2.200
Rmerge	0.260	0.800
Number of reflections	8809	1382
<I/σ(I)>	10.9	1.9
Completeness [%]	99.9	99.5
Redundancy	11.6	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	25% PEG 6000, 0.1 M Tris-HCl