22GU

Crystal structure of the CJ1041C protein from Campylobacter jejuni in complex with Ca2+ in space group P212121

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)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	46.402, 60.629, 91.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 - 1.500
R-factor	0.172
Rwork	0.171
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	22gv
RMSD bond length	0.006
RMSD bond angle	0.907
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	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	42021	1907
<I/σ(I)>	16.9	1.9
Completeness [%]	99.3	92.6
Redundancy	5.9	5.1
CC(1/2)	0.986	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	PEG 3350, CHES