7ZRR

Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8731
Spacegroup name	H 3
Unit cell lengths	120.906, 120.906, 42.716
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.120 - 1.640
R-factor	0.2031
Rwork	0.201
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qn7
RMSD bond length	0.008
RMSD bond angle	1.550
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.580	1.800
High resolution limit [Å]	1.640	1.640
Rmerge	0.059	0.711
Number of reflections	28238	1430
<I/σ(I)>	8.5	1.1
Completeness [%]	99.3
Redundancy	7.9
CC(1/2)	0.997	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	293	5% PEG400, 50mM Citrato pH 4.3, 1.8 M (NH4)2SO4, 20% Ethylene glycol