4XDR

Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional FMN transferase/FAD pyrophosphatase, D284A mutant, ADN 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	2012-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	116.834, 46.792, 57.725
Unit cell angles	90.00, 102.56, 90.00

Refinement procedure

Resolution	28.163 - 1.400
R-factor	0.1728
Rwork	0.172
R-free	0.19590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ifu
RMSD bond length	0.014
RMSD bond angle	1.418
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.046	0.026	0.545
Total number of observations	230801
Number of reflections	59272
<I/σ(I)>	14.6
Completeness [%]	99.3	95.7	95.6
Redundancy	3.9	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES, 0.7 M sodium acetate, 0.1 M NaCl, 20% (v/v) ethylene glycol;