6L6X

The structure of ScoE with substrate

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	2019-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 42
Unit cell lengths	97.200, 97.200, 70.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.930 - 2.180
R-factor	0.1712
Rwork	0.170
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dch
RMSD bond length	0.008
RMSD bond angle	0.856
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Number of reflections	33911	1688
<I/σ(I)>	11.462
Completeness [%]	99.1
Redundancy	3.7
CC(1/2)	0.522	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.3M Na/K tartrate, 0.1M Tris/HCl (pH 8.5)