3R4L

Human very long half life Plasminogen Activator Inhibitor type-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	72.007, 72.007, 194.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.000 - 2.700
R-factor	0.212
Rwork	0.209
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9pai
RMSD bond length	0.015
RMSD bond angle	1.860
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0093)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.003	2.800
High resolution limit [Å]	2.699	2.699
Rmerge	0.064	0.270
Number of reflections	13852
<I/σ(I)>	18.1	2.5
Completeness [%]	82.4	98.7
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.025M NACL, 27% TERT-BUTANOL, 0.050M TRIS-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K