6Z4N

CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	53.261, 96.275, 140.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.648 - 1.200
Rwork	0.154
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oas
RMSD bond length	0.014
RMSD bond angle	1.874
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.648	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.029	0.560
Rmeas	0.040	0.792
Rpim	0.029	0.560
Number of reflections	214538	14933
<I/σ(I)>	10.89	0.72
Completeness [%]	94.3	65.85
Redundancy	1.9	1.5
CC(1/2)	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Drops contained 1 uL of 20 mg/mL StOASS-A mixed with 1 uL of reservoir solution containing 30-31% (w/v) PEG4000, 130-180 mM Li2SO4 (Fluka), 100 mM Tris base pH = 7.0.