6SUI

AMICOUMACIN KINASE AMIN

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	57.736, 57.736, 273.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.600
R-factor	0.157
Rwork	0.155
R-free	0.20360
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.015
RMSD bond angle	1.582
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]	12.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	1.310
Rmeas	0.083	1.410
Number of reflections	62412	4295
<I/σ(I)>	13.5	1.81
Completeness [%]	96.2	94.9
Redundancy	7.1
CC(1/2)	0.999	0.585

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