7MGV

Chryseobacterium gregarium RiPP-associated ATP-grasp ligase in complex with ADP, and a leader and core peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.96863
Spacegroup name	P 21 21 21
Unit cell lengths	64.258, 80.990, 149.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 2.440
R-factor	0.2039
Rwork	0.200
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ig9
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.115	0.554
Rmeas	0.115	0.652
Rpim	0.044	0.334
Number of reflections	29505	1438
<I/σ(I)>	18.5	1.2
Completeness [%]	98.6	97.4
Redundancy	6.2	3.4
CC(1/2)	0.993	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	28% PEG 2000, 0.1 M bis-tris pH 6.5, 1 mM magnesium chloride