7OYI

Escherichia coli YtfE_E159L(MN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976247
Spacegroup name	P 1 21 1
Unit cell lengths	59.824, 49.671, 88.091
Unit cell angles	90.00, 100.48, 90.00

Refinement procedure

Resolution	53.390 - 1.860
R-factor	0.1821
Rwork	0.181
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fnn
RMSD bond length	0.008
RMSD bond angle	0.790
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.390	1.880
High resolution limit [Å]	1.860	1.860
Rmerge	0.048
Rmeas	0.058
Rpim	0.031
Number of reflections	43000	2139
<I/σ(I)>	13
Completeness [%]	99.3
Redundancy	3.3
CC(1/2)	0.990	0.787

Crystallization Conditions

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