6ZRV

Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with an Inhibitory Nanobody (VHH-s-a93, Nb93)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978934
Spacegroup name	P 41 21 2
Unit cell lengths	117.808, 117.808, 96.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.690 - 1.880
R-factor	0.1979
Rwork	0.197
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q02 5tp3
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.300	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.126	2.042
Rmeas	0.131	2.127
Rpim	0.036	0.589
Number of reflections	65134	9357
<I/σ(I)>	10.9
Completeness [%]	100.0	100
Redundancy	13	12.8
CC(1/2)	0.998	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1 M DIAMMONIUM PHOSPHATE, O.1 M TRISODIUM CITRATE, 0.2 M SODIUM CHLORIDE