6WED

Copper-bound E44Q variant of Campylobacter jejuni P19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	55.347, 73.336, 78.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.506 - 1.900
R-factor	0.1776
Rwork	0.174
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lzl
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.086	0.042	0.515
Rmeas	0.093	0.046	0.598
Rpim	0.035	0.018	0.294
Total number of observations	173279
Number of reflections	25790	1431	1138
<I/σ(I)>	8
Completeness [%]	99.2	99.1	88.8
Redundancy	6.7	6.6	3.5
CC(1/2)		0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M BisTris pH 6.5, 20% PEG 550, and 40 mM CaCl2 dihydrate