9J6A

Crystal structure of oxidoreductase mutant M1 from Streptomyces aureocirculatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978797
Spacegroup name	C 1 2 1
Unit cell lengths	72.406, 100.622, 85.982
Unit cell angles	90.00, 110.66, 90.00

Refinement procedure

Resolution	32.080 - 1.990
R-factor	0.2437
Rwork	0.242
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.173
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]	80.450	2.090
High resolution limit [Å]	1.990	1.990
Number of reflections	39652	5740
<I/σ(I)>	6	1.5
Completeness [%]	99.7	99.4
Redundancy	10.1	8.3
CC(1/2)	0.996	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate,CAPS,lithium sulfate