6N9D

Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-05-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	70.031, 70.031, 319.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.990 - 2.670
R-factor	0.1894
Rwork	0.184
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uea
RMSD bond length	0.009
RMSD bond angle	1.304
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.990	2.765
High resolution limit [Å]	2.670	2.670
Rmerge	0.247
Rmeas	0.253
Number of reflections	14162	1374
<I/σ(I)>	20.11	2.16
Completeness [%]	100.0	100
Redundancy	20.4	21.1
CC(1/2)	0.981	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Sodium Acetate, 0.1 M Sodium Cacodylate: HCl, pH 6.5 18 % (w/v) PEG 8000