9VTB

Crystal structure of FjoF bound with GSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	73.173, 76.106, 114.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.020 - 1.520
R-factor	0.1829
Rwork	0.182
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.020	1.574
High resolution limit [Å]	1.520	1.520
Number of reflections	99374	9739
<I/σ(I)>	17.6
Completeness [%]	100.0
Redundancy	68.1
CC(1/2)	0.999	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	100 mM MES pH 6, 200 mM ammonium acetate, 21.4% PEG3350