7BHC

Escherichia coli YtfE E125L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	59.790, 49.608, 87.819
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	53.200 - 1.870
R-factor	0.1838
Rwork	0.182
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fnn
RMSD bond length	0.003
RMSD bond angle	0.529
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	1.980
High resolution limit [Å]	1.870	1.870
Rmerge	0.082	1.232
Rmeas	0.096
Rpim	0.049	0.767
Number of reflections	41865	4140
<I/σ(I)>	9.7
Completeness [%]	99.8	99.74
Redundancy	3.7
CC(1/2)	0.999	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298.15	Tris-HCl, PEG 4000, Magnesium chloride, Sodium Chloride