6T5X

Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	I 1 2 1
Unit cell lengths	77.430, 71.144, 81.366
Unit cell angles	90.00, 94.42, 90.00

Refinement procedure

Resolution	58.210 - 1.500
R-factor	0.1602
Rwork	0.159
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afn
RMSD bond length	0.009
RMSD bond angle	1.479
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.490	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.025	0.387
Rmeas	0.032	0.491
Rpim	0.020	0.335
Number of reflections	67342	3464
<I/σ(I)>	18.3	2.5
Completeness [%]	95.9	97.4
Redundancy	2.3	2.3
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M LiSO4 0.1 M HEPES pH 7.5 25 %w/v PEG3350 10 mM NADPH (added to the protein solution) Cryoprotection of the crystals: dipping them in 0.2 M LiSO4 0.1 M HEPES pH 7.5 25 %w/v PEG3350 26% Glycerol