9WPN

Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni 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	2024-11-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	80.829, 133.433, 152.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 2.900
R-factor	0.2002
Rwork	0.199
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.003
RMSD bond angle	0.677
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	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	37653	1837
<I/σ(I)>	6.3	0.8
Completeness [%]	100.0	99.9
Redundancy	6.5	6.1
CC(1/2)	0.992	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	PEG 8000, NaCl, imidazole