1I5K

STRUCTURE AND BINDING DETERMINANTS OF THE RECOMBINANT KRINGLE-2 DOMAIN OF HUMAN PLASMINOGEN TO AN INTERNAL PEPTIDE FROM A GROUP A STREPTOCOCCAL SURFACE PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.039
Spacegroup name	P 61 2 2
Unit cell lengths	91.980, 91.980, 151.779
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.195 *
Rwork	0.195
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Using K4 Pg (PDB entry 1PK4)
RMSD bond length	0.020
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.075	0.550
Total number of observations	74852 *
Number of reflections	11063 *
<I/σ(I)>	20	2.7
Completeness [%]	97.9	84.3
Redundancy	6.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	23%(w/v) PEG 3350, 0.1 M Mes, 0.2 M Li2SO4, 2mM CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	23 (%(w/v))
2	1	reservoir	MES	0.1 (M)
3	1	reservoir		0.2 (M)
4	1	reservoir		2 (mM)