5JFF

E. coli EcFicT mutant G55R in complex with EcFicA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9999
Spacegroup name	P 65
Unit cell lengths	104.690, 104.690, 110.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	90.660 - 2.000
R-factor	0.1634
Rwork	0.162
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3shg
RMSD bond length	0.019
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.000		2.120
High resolution limit [Å]	2.000	5.990	2.000
Rmerge	0.096	0.020	0.784
Number of reflections	46198
<I/σ(I)>	23.61	89.68	3.43
Completeness [%]	99.6	99.9	97.8
Redundancy	10.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.2 M MgCl2, 0.1 M Tris pH 8.0, 20% (w/v) PEG 6000