4IG1

Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mg(II)-AMP product bound 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	2012-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97000
Spacegroup name	C 1 2 1
Unit cell lengths	116.998, 46.890, 57.471
Unit cell angles	90.00, 102.49, 90.00

Refinement procedure

Resolution	28.558 - 1.432
R-factor	0.1789
Rwork	0.177
R-free	0.21070
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ifu
RMSD bond length	0.014
RMSD bond angle	1.280
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.430	3.940	1.430
Rmerge	0.060	0.036	0.559
Number of reflections	53906
<I/σ(I)>	13.3
Completeness [%]	99.4	96.2	96.7
Redundancy	3.7	3.6	3.2

Crystallization Conditions

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