7WUY

The crystal structure of FinI in complex with SAM and fischerin

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	2021-01-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 2 21
Unit cell lengths	72.954, 108.295, 122.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.610 - 1.840
R-factor	0.1719
Rwork	0.170
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wup
RMSD bond length	0.016
RMSD bond angle	1.302
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.12-2829)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.081	1.283
Rmeas	0.088
Rpim	0.033
Number of reflections	83669	4473
<I/σ(I)>	21.5	2.1
Completeness [%]	98.6	97.5
Redundancy	13.3	13.7
CC(1/2)	0.999	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	0.15 M Ammonium sulfate, 0.1 M HEPES pH 7.0, 20%(w/v)PEG4000