9PYF

uPA Inhibitory Fab AB2 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1158
Spacegroup name	P 43
Unit cell lengths	86.745, 86.745, 172.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.745 - 2.900
R-factor	0.2313
Rwork	0.228
R-free	0.29980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.394
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.745	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	28202	2814
<I/σ(I)>	10.81
Completeness [%]	93.6	94.31
Redundancy	73.1	34.3
CC(1/2)	0.998	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298.15	For crystallization purposes, uPA was co-incubated with AB2 in a 1:1 stoichiometric ratio for 1h and co-purified using size-exclusion chromatography. The complex co-eluted was concentrated to 15 mg/mL.Crystallization drops were produced by mixing 0.1 uL of uPA-AB2 solution with 0.1 uL of the respective crystallization solution. A single crystal was produced using a solution containing 0.2 M diammonium hydrogen citrate (Salt) and 20 percent PEG 3350 and incubating the experiment for 14 days at room temperature.