8RIE

Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus bound to Guaiacol, orthorhombic crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	48.891, 61.530, 195.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.620 - 1.780
R-factor	0.17003
Rwork	0.168
R-free	0.21864
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.690
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.620	1.426
High resolution limit [Å]	1.291	1.291
Rmerge	0.081	1.364
Number of reflections	57542	4609
<I/σ(I)>	13.4	1.6
Completeness [%]	94.5
Redundancy	12.6
CC(1/2)	0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	2 M AMMONIUM SULFATE