8K5Y

Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.99999
Spacegroup name	C 1 2 1
Unit cell lengths	91.530, 73.990, 77.130
Unit cell angles	90.00, 103.36, 90.00

Refinement procedure

Resolution	49.010 - 1.520
R-factor	0.17725
Rwork	0.176
R-free	0.19788
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.804
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.050	1.610
High resolution limit [Å]	1.520	1.520
Number of reflections	76843	12130
<I/σ(I)>	11.17
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.998	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	25% w/v Polyethylene glycol 1500, 100mM SPG buffer pH5.0