5ZZU

Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli- complex with Zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-20
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	0.9785
Spacegroup name	P 32
Unit cell lengths	85.060, 85.060, 121.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.830 - 2.100
R-factor	0.1662
Rwork	0.165
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ZNV
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.830	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.427
Rmeas	0.094	0.472
Rpim	0.030	0.196
Number of reflections	56697	5219
<I/σ(I)>	17.6	3.1
Completeness [%]	98.7	90.11
Redundancy	9.5	5.48
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Ammonium formate (pH7.5), 20% (w/v) PEG3350