6SV5

Amicoumacin kinase AmiN in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	58.277, 58.277, 281.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.480 - 2.000
R-factor	0.209
Rwork	0.207
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.960
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]	70.500	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.044	0.213
Rmeas	0.048	0.229
Number of reflections	34143	2366
<I/σ(I)>	23.9	8.6
Completeness [%]	97.2
Redundancy	6.9
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris-HCl, pH 8.5 2.5-2.65 M ammonium sulfate 10 mM ATP