9LP3

Crystal structure of Aromatic Dioxygenase CpuAdo(Coniochaeta pulveracea)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	66.902, 90.052, 194.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.030 - 2.200
R-factor	0.1963
Rwork	0.194
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.913
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.520	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	60438	60438
<I/σ(I)>	6.9
Completeness [%]	100.0
Redundancy	8.4
CC(1/2)	0.975	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350