4IFU

Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, apo form

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	2011-08-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97929
Spacegroup name	C 1 2 1
Unit cell lengths	117.587, 47.282, 57.593
Unit cell angles	90.00, 102.04, 90.00

Refinement procedure

Resolution	28.750 - 1.833
R-factor	0.1717
Rwork	0.169
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vrm
RMSD bond length	0.018
RMSD bond angle	1.277
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.076	0.034	0.574
Number of reflections	27231
<I/σ(I)>	10.2
Completeness [%]	99.7	98.5	99.9
Redundancy	4	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M sodium cacodylate, 0.8 M sodium acetate, 0.1 M NaCl, 20% (w/v) ethylene glycol;, pH 6.5, hanging-drop vapor diffusion, temperature 293K