1F1M

CRYSTAL STRUCTURE OF OUTER SURFACE PROTEIN C (OSPC)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-23
Detector	BRANDEIS - B1
Spacegroup name	P 1 21 1
Unit cell lengths	66.323, 46.252, 111.784
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.201
Rwork	0.201
R-free	0.24000 *
RMSD bond length	0.004
RMSD bond angle	1.010
Data reduction software	MARMAD
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.087	0.216
Number of reflections	531522 *
Completeness [%]	85.3	21.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG MME 550, MES, Zinc sulphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.9 (mg/ml)
2	1	reservoir	mPEG550	25 (%(v/v))
3	1	reservoir	zinc sulfate heptahydrate	10 (mM)
4	1	reservoir	MES	100 (mM)