9D0P

Crystal structure of PLK1 in complex with AZD1775

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99990
Spacegroup name	P 32 2 1
Unit cell lengths	67.481, 67.481, 154.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.660 - 2.650
Rwork	0.247
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.660	2.900
High resolution limit [Å]	2.650	2.650
Rmeas	0.068	0.524
Number of reflections	12188	2858
<I/σ(I)>	17.1
Completeness [%]	97.9
Redundancy	4.3
CC(1/2)	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	3% to 16% PEG 3350-6000 and 0.2 to 0.5 M sodium malonate