9J6C

Crystal structure of an oxidoreductase mutant M4 from Streptomyces aureocirculatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979168
Spacegroup name	C 1 2 1
Unit cell lengths	76.650, 100.958, 86.910
Unit cell angles	90.00, 112.30, 90.00

Refinement procedure

Resolution	42.750 - 2.320
R-factor	0.2195
Rwork	0.218
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.050
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]	42.750	2.400
High resolution limit [Å]	2.320	2.320
Number of reflections	26565	2537
<I/σ(I)>	9.2	2.1
Completeness [%]	99.5
Redundancy	14.6	14.7
CC(1/2)	0.996	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	lithium sulfate,MES, magnesium chloride,Betaine hydrochloride