9WPO

Crystal structure of the nitrilase superfamily protein CJ1056C from Campylobacter jejuni in space group P21

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	2024-12-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	50.706, 152.019, 74.365
Unit cell angles	90.00, 94.06, 90.00

Refinement procedure

Resolution	28.950 - 2.300
R-factor	0.2093
Rwork	0.207
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9wpn
RMSD bond length	0.004
RMSD bond angle	0.740
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	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	49466	2262
<I/σ(I)>	9.6	1.1
Completeness [%]	97.7	89.8
Redundancy	2.9	2.4
CC(1/2)	0.987	0.618

Crystallization Conditions

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