8K5V

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	91.040, 73.820, 77.680
Unit cell angles	90.00, 104.21, 90.00

Refinement procedure

Resolution	49.170 - 1.700
R-factor	0.18007
Rwork	0.178
R-free	0.21665
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.608
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]	75.310	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	54815	8582
<I/σ(I)>	10.29
Completeness [%]	99.8
Redundancy	5.4
CC(1/2)	0.998	0.617

Crystallization Conditions

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