8FIR

Crystal structure of TpPta, a phosphotransacetylase 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	2015-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97935
Spacegroup name	P 32 2 1
Unit cell lengths	66.195, 66.195, 337.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.910 - 1.950
R-factor	0.1814
Rwork	0.179
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.076
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmeas	0.094	0.745
Number of reflections	63299	3101
<I/σ(I)>	14.6
Completeness [%]	98.4
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium citrate dibasic, 20% PEG3350