8S71

Oxidoreductase B from Phytophthora sojae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	40.067, 106.897, 44.815
Unit cell angles	90.00, 114.10, 90.00

Refinement procedure

Resolution	53.420 - 2.050
Rwork	0.168
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.436
Data reduction software	xia2
Data scaling software	TRUNCATE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.420	2.090
High resolution limit [Å]	1.900	2.050
Number of reflections	26881	1356
<I/σ(I)>	6.6
Completeness [%]	99.4
Redundancy	7.3
CC(1/2)	0.989	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1M sodium acetate trihydrate pH 4.5, 2.0M Ammonium sulfate