7WJ6

Crystal Structure of the Kinase Domain of a Class III Lanthipeptide Synthetase CurKC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	96.199, 96.199, 115.453
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.940 - 2.550
R-factor	0.2147
Rwork	0.211
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mru
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.940	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	24666	2421
<I/σ(I)>	20.44
Completeness [%]	96.9
Redundancy	19.8
CC(1/2)	1.000	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	289	0.1 M Bis-Tris, pH 6.3, 3 M NaCl