6T60

Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979337
Spacegroup name	P 43 21 2
Unit cell lengths	87.823, 87.823, 151.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.450 - 1.660
R-factor	0.1592
Rwork	0.158
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afn
RMSD bond length	0.013
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.450	1.750
High resolution limit [Å]	1.660	1.660
Rmerge	0.087	0.688
Rmeas	0.093	0.737
Rpim	0.031	0.252
Number of reflections	69132	10042
<I/σ(I)>	10.8	1.8
Completeness [%]	98.2	99
Redundancy	6.8	6.9
CC(1/2)	0.998	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2.1M DL-Malic acid pH7