7BHB

Escherichia coli YtfE E159L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-03-02
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	86.814, 51.418, 54.956
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	46.400 - 2.360
R-factor	0.2537
Rwork	0.252
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fnn
RMSD bond length	0.002
RMSD bond angle	0.445
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.810	2.640
High resolution limit [Å]	2.360	2.360
Rmerge	0.088	0.828
Rpim	0.052	0.479
Number of reflections	11106	556
<I/σ(I)>	10.2
Completeness [%]	55.1
Redundancy	3.9
CC(1/2)	0.998	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298.15	Tris-HCl, PEG 4000, magnesium chloride