1GGQ

OUTER SURFACE PROTEIN C (OSPC) OF BORRELIA BURGDORFERI STRAIN B31

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	2000-04-16
Detector	BRANDEIS
Spacegroup name	P 1
Unit cell lengths	127.206, 33.654, 47.993
Unit cell angles	84.04, 81.55, 89.23

Refinement procedure

Resolution	40.740 - 2.510
R-factor	0.231
Rwork	0.231
R-free	0.27000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.130 *
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]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.043	0.142
Number of reflections	24505 *
<I/σ(I)>	16.1
Completeness [%]	91.1 *	75.4
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.5	4 *	23 % (w/v) PEG 3350, 50 mM Tris/HCl pH 8.5, 100 mM MgCl2, 10% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG3350	28-30 (%)
2	1	1	Tris-HCl	80 (mM)
3	1	1		100 (mM)
4	1	1	glycerol	18 (%)