7AQL

Crystal Structure of an Anti-Plasminogen Activator Inhibitor-1 (PAI-1) scFv antibody fragment (scFv-33H1F7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	C 1 2 1
Unit cell lengths	190.398, 55.577, 102.493
Unit cell angles	90.00, 90.28, 90.00

Refinement procedure

Resolution	45.210 - 1.800
R-factor	0.1866
Rwork	0.186
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzb
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	Inner shell	Outer shell
Low resolution limit [Å]	102.490	102.490	1.880
High resolution limit [Å]	1.780	5.630	1.780
Rmerge	0.041	0.027	0.564
Rmeas	0.049	0.032	0.672
Rpim	0.026	0.018	0.361
Total number of observations	323744	10558	49945
Number of reflections	96894	3358	14928
<I/σ(I)>	14	34.1	1.9
Completeness [%]	93.9	98.3	99.8
Redundancy	3.3	3.1	3.3
CC(1/2)	0.999	0.998	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.8 M DIAMMONIUM PHOSPHATE, 0.1 M BIS-TRIS, 4% w/v ACETONITRILE