8GR2

Crystal structure of the GDSL-family esterase CJ0610C from Campylobacter jejuni

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	CCD
Collection date	2022-06-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 61
Unit cell lengths	55.208, 55.208, 136.683
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.800 - 1.650
R-factor	0.1677
Rwork	0.167
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 model
RMSD bond length	0.006
RMSD bond angle	0.769
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	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	28325	1438
<I/σ(I)>	32.5	2.4
Completeness [%]	99.7	100
Redundancy	5.6	5.5
CC(1/2)	0.996	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	PEG 3350, Bis-Tris, ammonium sulfate