1G5Z

CRYSTAL STRUCTURE OF LYME DISEASE ANTIGEN OUTER SURFACE PROTEIN C (OSPC) FROM BORRELIA BURGDORFERI STRAIN N40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-11-23
Detector	MACSCIENCE
Wavelength(s)	1.54078
Spacegroup name	P 21 21 2
Unit cell lengths	32.079, 47.052, 110.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.500 *
R-factor	0.196
Rwork	0.196
R-free	0.26200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.067 *	0.207 *
Number of reflections	5757
<I/σ(I)>	14.2
Completeness [%]	93.7	89.6
Redundancy	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 1500, EDTA, DTT, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	reservoir	Tris-HCl	10 (mM)
3	1	reservoir	dithiothreitol	5 (mM)
4	1	reservoir	PEG1500	12 (%)