5W17

Crystal structure of Campylobacter jejuni YCEI protein that crystallizes with large solvent channels for nanotechnology applications

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-04-04
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	178.808, 178.808, 50.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.070 - 2.580
R-factor	0.2228
Rwork	0.221
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fgs
RMSD bond length	0.013
RMSD bond angle	1.856
Data reduction software	XDS (20161101)
Data scaling software	SCALA (3.3.22)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.167	38.167	2.720
High resolution limit [Å]	2.580	8.160	2.580
Rmerge		0.069	3.018
Rmeas	0.230	0.071	3.097
Rpim	0.051	0.017	0.690
Number of reflections	15452
<I/σ(I)>	10.2	7.2	0.2
Completeness [%]	99.9	99	99.6
Redundancy	20.3	17.9	19.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	3.2 M Ammonium Sulfate, 0.1 M Bis-Tris