6KVZ

The structure of EanB/T414V 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	87.415, 111.423, 60.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.900 - 2.180
R-factor	0.1707
Rwork	0.169
R-free	0.20020
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	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.168
Number of reflections	31803	31459
<I/σ(I)>	2.2
Completeness [%]	99.7
Redundancy	12.2
CC(1/2)		0.733

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