6SUN

Amicoumacin kinase hAmiN in complex with AMP-PNP, Ca2+ 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	2019-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	C 1 2 1
Unit cell lengths	126.640, 54.460, 64.630
Unit cell angles	90.00, 113.28, 90.00

Refinement procedure

Resolution	59.370 - 1.350
R-factor	0.1433
Rwork	0.141
R-free	0.17590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.524
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]	60.000	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.086	2.770
Rmeas	0.089	2.870
Number of reflections	88781	6187
<I/σ(I)>	13.5	2
Completeness [%]	97.0	95
Redundancy	13.8	14.1
CC(1/2)	0.999	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH6.5 0.2 M NaOAc 27-29% (w/v) PEG 2000MME 2 mM amiA 2.2 mM AMP-PNP 20 mM Ca2+