1OC0

plasminogen activator inhibitor-1 complex with somatomedin B domain of vitronectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-15
Detector	APS
Spacegroup name	P 21 21 21
Unit cell lengths	47.501, 90.087, 100.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.280
R-factor	0.198
Rwork	0.196
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b3k
RMSD bond length	0.012 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BEAST
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.370
High resolution limit [Å]	2.280	2.280
Rmerge	0.112	0.733
Number of reflections	20251	2204 *
<I/σ(I)>	7.9
Completeness [%]	100.0	99.95 *
Redundancy	12.2	7.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4	4 *	10MM NAOAC, 50MM NACL, 2-9% PEG12000,25% PEG400, 50MM HEPES, PH 7.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	sodium acetate	10 (mM)
3	1	drop		50 (mM)
4	1	reservoir	PEG12000	2-9 (%(w/v))
5	1	reservoir	HEPES	50 (mM)	pH7.4