6XJ7

Crystal structure of the helical cell shape determining protein Pgp2 (K307A mutant) from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.974
Spacegroup name	P 2 21 21
Unit cell lengths	64.930, 89.760, 106.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.364 - 1.850
R-factor	0.1661
Rwork	0.164
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xzz
RMSD bond length	0.010
RMSD bond angle	0.964
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.364	41.364	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.102	0.043	0.868
Rmeas	0.110	0.046	0.933
Total number of observations	396576
Number of reflections	53923	684	3945
<I/σ(I)>	13.12	32.59	2.25
Completeness [%]	100.0	98.8	100
Redundancy	7.354	6.216	7.44
CC(1/2)	0.998	0.997	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	25.5 % (w/v) PEG4K, 15 % (v/v) glycerol, 0.17 M ammonium acetate, and 0.085 M sodium acetate pH 4.6