8S30

Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979499
Spacegroup name	P 1 21 1
Unit cell lengths	43.138, 56.568, 49.576
Unit cell angles	90.00, 115.74, 90.00

Refinement procedure

Resolution	44.660 - 1.940
R-factor	0.2194
Rwork	0.217
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.660	2.009
High resolution limit [Å]	1.940	1.940
Rmerge		0.888
Number of reflections	15410	1116
<I/σ(I)>	7.16
Completeness [%]	94.6
Redundancy	3.2
CC(1/2)	0.978	0.271

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.09 M Halogen mix (NaF, NaBr, NaI), 0.1 M buffer system 2 (Sodium HEPES and MOPS) (pH7.5), 37% precipitant mix MPD_P1K_P3350 (MPD (racemic), PEG 1K, PEG 3350)