2V84

Crystal Structure of the Tp0655 (TpPotD) Lipoprotein of Treponema pallidum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-14
Detector	CUSTOM
Spacegroup name	P 21 21 21
Unit cell lengths	51.610, 86.270, 89.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.780
R-factor	0.236
Rwork	0.234
R-free	0.26000
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.289
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.040	1.800
High resolution limit [Å]	1.780	1.780
Rmerge	0.050	0.830
Number of reflections	39206
<I/σ(I)>	39.4	2
Completeness [%]	99.7	97.2
Redundancy	6.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	CRYSTALS WERE GROWN AT 20 DEGRRES C USING THE VAPOR DIFFUSION METHOD IN HANGING DROP MODE BY MIXING 1 MICROLITER PROTEIN (20 MG/ML) IN 20 MM HEPES, PH 7.0, 0.1 M NACL, 2 MM BETA-OCTYL GLUCOSIDE WITH 1 MICROLITER RESERVOIR SOLUTION (10-12% (W/V) PEG 20K, 0.1 M MES, PH 6.5) AND EQUILIBRATING AGAINST 1 ML OF RESERVOIR SOLUTION. CRYSTALS APPEARED WITHIN SEVERAL HOURS AND GREW TO A FINAL SIZE OF 0.2 X 0.2 X 0.8 MM IN ABOUT 2 DAYS. THE CRYSTALS WERE CRYO-PROTECTED IN RESERVOIR SOLUTION SUPPLEMENTED WITH 20% (V/V) ETHYLENE GLYCOL, AND THEN FLASH-COOLED IN LIQUID NITROGEN.