8EYV

Structure of Beetroot dimer bound to DFHO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.104
Spacegroup name	P 1 21 1
Unit cell lengths	29.790, 50.788, 97.088
Unit cell angles	90.00, 94.90, 90.00

Refinement procedure

Resolution	48.370 - 2.550
R-factor	0.1965
Rwork	0.183
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8eyu
RMSD bond length	0.006
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.730	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.139
Number of reflections	9500	915
<I/σ(I)>	6.5
Completeness [%]	99.1
Redundancy	6.5
CC(1/2)	0.995	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	2.0 M Ammonium sulfate, 5% 2-propanol