6SUL

Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	45.340, 76.770, 101.200
Unit cell angles	89.95, 99.62, 91.44

Refinement procedure

Resolution	99.780 - 1.350
R-factor	0.151
Rwork	0.149
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.200	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.085	1.390
Rmeas	0.093	1.570
Number of reflections	295613	21169
<I/σ(I)>	10.45	1.9
Completeness [%]	98.7	96.9
Redundancy	6.38	4.8
CC(1/2)	0.996	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	100 mM Tris-HCl, pH 8.5, 1.1 M LiCl, 27.5 % (w/v) PEG 4000