8CRC

Structure of human Plk1 PBD in complex with Allopole-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999
Spacegroup name	P 1 21 1
Unit cell lengths	39.359, 51.905, 51.446
Unit cell angles	90.00, 106.64, 90.00

Refinement procedure

Resolution	37.710 - 1.650
R-factor	0.1791
Rwork	0.177
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.351
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.290	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.068	0.881
Rmeas	0.080	1.034
Rpim	0.042	0.536
Number of reflections	23444	1144
<I/σ(I)>	9.7	2
Completeness [%]	97.6	96.4
Redundancy	7	7.1
CC(1/2)	0.999	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	12% (w/v) PEG 3350, 0.1 M MES