8WFP

Crystal structure of polo-like kinase(PLK1)PBD in complex with DD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 2 1
Unit cell lengths	77.829, 35.370, 95.545
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	35.370 - 1.990
R-factor	0.1995
Rwork	0.198
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o9w
RMSD bond length	0.014
RMSD bond angle	2.166
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.370	4.790
High resolution limit [Å]	1.990	1.990
Number of reflections	35270	35270
<I/σ(I)>	17.5
Completeness [%]	96.6
Redundancy	4
CC(1/2)	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5% PEG 3350, 10% Tacsimate pH 8.0