6HV2

MMP-13 in complex with the peptide IMISF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99987
Spacegroup name	P 61 2 2
Unit cell lengths	68.928, 68.928, 133.563
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.460 - 1.709
R-factor	0.2163
Rwork	0.214
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ow9
RMSD bond length	0.005
RMSD bond angle	0.649
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160617)
Data scaling software	XDS (VERSION May 1, 2016 BUILT=20160617)
Phasing software	MOLREP (Vers 11.4.06)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.460	1.770
High resolution limit [Å]	1.709	1.709
Rmerge	0.211
Rmeas	0.214
Number of reflections	21019	2003
<I/σ(I)>	18.59	1.31
Completeness [%]	99.7	97.85
Redundancy	37.3	36.5
CC(1/2)	1.000	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	50 mM glycine, 20% PEG4000, 1 M ammonium formate, pH 9.4