4XGX

Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited

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	2013-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	54.583, 56.981, 224.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.264 - 1.900
R-factor	0.1816
Rwork	0.180
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xgv
RMSD bond length	0.017
RMSD bond angle	0.985
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	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.039	0.017	0.606
Rmeas	0.044	0.020	0.698
Rpim	0.020	0.010	0.334
Total number of observations	231169
Number of reflections	57017
<I/σ(I)>	15.2
Completeness [%]	93.6	97	60.7
Redundancy	4.1	3.9	3.4
CC(1/2)		0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	5 mM magnesium chloride, 5 mM ADP, 0.2 M ammonium nitrate, 20% (w/v) PEG 3350, 35% (v/v) ethylene glycol;