8K2O

Crystal structure of Fhb7-M10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	77.506, 112.156, 135.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.800 - 2.010
R-factor	0.2007
Rwork	0.200
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yoc
RMSD bond angle	6.023
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.590	2.110
High resolution limit [Å]	2.010	2.010
Rmerge	0.109	1.057
Rmeas	0.114	0.114
Rpim	0.033	0.328
Total number of observations	945516
Number of reflections	79602	11470
<I/σ(I)>	16.9
Completeness [%]	100.0
Redundancy	11.9	11.4
CC(1/2)	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, 25% PEG 3350