5JK2

Crystal structure of Treponema pallidum Tp0751 (Pallilysin)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.984
Spacegroup name	P 31 2 1
Unit cell lengths	144.720, 144.720, 152.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.383 - 2.150
R-factor	0.2465
Rwork	0.239
R-free	0.27640
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.642
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.360	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.122	0.719
Number of reflections	100394
<I/σ(I)>	10.7	2.7
Completeness [%]	99.9	100
Redundancy	7.5	7.4
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	291	0.1 M sodium acetate pH 5.4, 1.6 M sodium formate