9J67

Crystal structure of an oxidoreductase from Streptomyces aureocirculatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97917
Spacegroup name	C 1 2 1
Unit cell lengths	71.571, 101.186, 85.218
Unit cell angles	90.00, 110.68, 90.00

Refinement procedure

Resolution	42.720 - 1.930
R-factor	0.1983
Rwork	0.197
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.959
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.720	1.980
High resolution limit [Å]	1.930	1.930
Number of reflections	41955	2461
<I/σ(I)>	12.1	1.12
Completeness [%]	98.4
Redundancy	9.7	7
CC(1/2)	0.998	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Lithium sulfate,MES, Magnesium chloride hexahydrate,TWEEN 80