4XDU

Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein,a bifunctional FMN transferase/FAD pyrophosphatase, N55Y mutant, ADP 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	2012-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	116.830, 46.814, 57.501
Unit cell angles	90.00, 102.22, 90.00

Refinement procedure

Resolution	24.535 - 1.350
R-factor	0.1685
Rwork	0.167
R-free	0.18800
RMSD bond length	0.016
RMSD bond angle	1.243
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	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.048	0.025	0.509
Total number of observations	269463
Number of reflections	72901
<I/σ(I)>	12.7
Completeness [%]	97.0	99.3	64
Redundancy	3.7	4.1	1.7

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;