6KTX

The wildtype structure of EanB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	88.583, 111.387, 60.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.149 - 2.189
Rwork	0.172
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ipp
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.170	2.170
Number of reflections	30763	1457
<I/σ(I)>	9.5
Completeness [%]	99.6	95.2
Redundancy	9.4
CC(1/2)	0.971	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.02M MgCl2, 0.1M Hepes 7.5, 22%w/v polyacrylic acid sodium salt 5100