5U2P

The crystal structure of Tp0737 from Treponema pallidum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	55.925, 55.925, 237.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.539 - 1.760
R-factor	0.1832
Rwork	0.181
R-free	0.22180
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.539	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.044	0.365
Number of reflections	43052
<I/σ(I)>	19.6
Completeness [%]	97.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M NaBr 0.1 M Bis-Tris Propane 20% PEK 3,350