9SOQ

Tissue inhibitor of Metalloproteinase 1 (TIMP-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	48.979, 45.542, 90.347
Unit cell angles	90.00, 99.88, 90.00

Refinement procedure

Resolution	45.840 - 2.300
Rwork	0.210
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.834
Data reduction software	DIALS (3.18.0-gbecf27540-release)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.105))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.840	45.840	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.152	0.062	0.930
Rmeas	0.210	0.087	1.280
Rpim	0.144	0.061	0.876
Number of reflections	17537	339	1707
<I/σ(I)>	4.7	11	1.3
Completeness [%]	99.1	99.2	99.9
Redundancy	3.5	3.2	3.6
CC(1/2)	0.983	0.985	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	0.2 Ammonium Sulphate, 0.1 M tri-sodium citrate, 25% PEG4000