4DTE

Crystal structure of zebrafish plasminogen activator inhibitor-1 (PAI-1)

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	CCD
Collection date	2011-02-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	65.160, 73.770, 91.750
Unit cell angles	90.00, 102.73, 90.00

Refinement procedure

Resolution	44.747 - 1.960
R-factor	0.1751
Rwork	0.174
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q02
RMSD bond length	0.019
RMSD bond angle	1.757
Data reduction software	xia2 (II)
Data scaling software	xia2 (II)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.150	2.130	2.010
High resolution limit [Å]	1.960	2.080	1.960
Number of reflections	60335
Completeness [%]	98.8	99.4	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.1	277.15	20% (w/v) PEG3350, 0.2 M NaCl, 0.1 M bis-Tris, pH 6.1, VAPOR DIFFUSION, temperature 277.15K