6T7M

Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	99.241, 107.192, 108.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.063 - 2.650
R-factor	0.1972
Rwork	0.194
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afn
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.063	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.091	0.677
Rmeas	0.122	0.906
Rpim	0.062	0.598
Number of reflections	34344	4516
<I/σ(I)>	10.5	1.8
Completeness [%]	99.9	99.9
Redundancy	3.7	3.9
CC(1/2)	0.996	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	0.1 M Bis-Tris propane pH 8.50 2 M Sodium Sulfate 20% w/v PEG3350 2% Glycerol Cryoprotection PEG 400 25% included to the Mother liquor: crystals diped in a drop