5JFZ

E. coli EcFicT in complex with EcFicA mutant E28G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	154.778, 64.402, 87.884
Unit cell angles	90.00, 113.80, 90.00

Refinement procedure

Resolution	80.410 - 2.400
R-factor	0.2244
Rwork	0.222
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fjj
RMSD bond length	0.013
RMSD bond angle	1.528
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.410	80.410	2.490
High resolution limit [Å]	2.400	8.970	2.400
Rmerge	0.176	0.068	0.651
Rmeas	0.193	0.074	0.710
Rpim	0.076	0.030	0.277
Total number of observations	192193	3665	17547
Number of reflections	30850
<I/σ(I)>	7.2	16.1	2.3
Completeness [%]	98.6	99.9	86.6
Redundancy	6.2	5.7	6.2
CC(1/2)	0.992	0.993	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	19% PEG 1500 (w/v), 0.1 M MMT (malic acid, MES, Tris) buffer pH 6.0