6T6P

Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 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)	0.97626
Spacegroup name	P 21 21 21
Unit cell lengths	71.639, 94.358, 151.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.030 - 1.570
R-factor	0.1519
Rwork	0.151
R-free	0.17020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jro
RMSD bond length	0.017
RMSD bond angle	1.704
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.030	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.053	0.305
Rmeas	0.070	0.418
Rpim	0.045	0.284
Number of reflections	137268	4795
<I/σ(I)>	11.6	2.1
Completeness [%]	96.0	69.2
Redundancy	3.9
CC(1/2)	0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	0.2 M NH4H2PO4 0.1 M Tris-HCl pH 8.5 50 %v/v MPD