7WJ7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 31 2 1
Unit cell lengths	96.228, 96.228, 115.482
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.820 - 2.550
R-factor	0.2129
Rwork	0.208
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mru
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.820	2.660
High resolution limit [Å]	2.550	2.550
Number of reflections	20611	2487
<I/σ(I)>	20.3	5
Completeness [%]	100.0
Redundancy	19.8
CC(1/2)	0.999	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	0.1 M Bis-Tris, pH 6.0, 3.0 M NaCl