9EH6

Crystal Structure of AroC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95299
Spacegroup name	P 1 21 1
Unit cell lengths	56.189, 46.817, 76.468
Unit cell angles	90.00, 101.97, 90.00

Refinement procedure

Resolution	40.504 - 2.250
Rwork	0.186
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.820	2.320
High resolution limit [Å]	2.250	2.250
Number of reflections	18709	1703
<I/σ(I)>	16.2
Completeness [%]	99.9	99.9
Redundancy	6.4
CC(1/2)	0.996	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM Sodium Acetate pH 4.5 8% PEG3350