6KVY

The structure of EanB/T414A complex with hercynine

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	2019-04-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	87.876, 111.072, 60.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.000 - 1.780
R-factor	0.1588
Rwork	0.158
R-free	0.18270
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.106
Number of reflections	57234	2804
<I/σ(I)>	24.5
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)		0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MOPS/HEPES-Na pH 7.5, 0.02M of each monosacharide, 10% PEG20k, 20% PEG550 MME