1I71

HIGH RESOLUTION CRYSTAL STRUCTURE OF APOLIPOPROTEIN(A) KRINGLE IV TYPE 7: INSIGHTS INTO LIGAND BINDING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9479
Spacegroup name	P 21 21 21
Unit cell lengths	35.110, 40.490, 65.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.450
R-factor	0.171 *
Rwork	0.173
R-free	0.19600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pk4
RMSD bond length	0.044 *
RMSD bond angle	1.420 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.069 *	0.200
Total number of observations	48859 *
Number of reflections	15774 *
<I/σ(I)>	14.8	2.6
Completeness [%]	91.8 *	96.7
Redundancy	2.9	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Ammonium sulfate, 2-[N-morpholino]ethane sulfonic acid, , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	21-23 (%)
2	1	reservoir	MES	0.1 (M)