6MAV

Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G 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	2017-11-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	69.703, 69.703, 321.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.588 - 2.370
R-factor	0.2211
Rwork	0.217
R-free	0.29780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uea
RMSD bond length	0.010
RMSD bond angle	1.349
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]	52.590	2.490
High resolution limit [Å]	2.370	2.370
Rmerge	0.066	0.791
Rmeas	0.069
Number of reflections	19911	1928
<I/σ(I)>	19.1	3.09
Completeness [%]	99.9	100
Redundancy	12.1	12.7
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Ammonium Acetate 0.1 M Bis-Tris: HCl, pH 5.5, 17 % (w/v) PEG 10,000