22GV

Crystal structure of the CJ1041C protein from Campylobacter jejuni in complex with Ca2+ in space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	45.441, 46.146, 66.709
Unit cell angles	87.38, 71.02, 81.70

Refinement procedure

Resolution	29.200 - 2.000
R-factor	0.162
Rwork	0.160
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	33428	1597
<I/σ(I)>	9	1.2
Completeness [%]	97.8	94.6
Redundancy	3.3	2.7
CC(1/2)	0.988	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	PEG 3350, Tris