9WTS

Structure of the EpHTT from Echinacea purpurea

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	2019-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	C 2 2 21
Unit cell lengths	94.049, 181.623, 129.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.110 - 2.290
R-factor	0.1861
Rwork	0.184
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.988
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.110	2.350
High resolution limit [Å]	2.290	2.290
Number of reflections	49222	49484
<I/σ(I)>	20.1
Completeness [%]	96.7
Redundancy	7
CC(1/2)	0.995	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 6000,sodium cacodylate,calcium acetate,Glycerol