9FJJ

Two PLK1 PBD proteins bound to CENP-U(39-114) phosphorylated at Thr78 and Thr98

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 2
Unit cell lengths	83.790, 134.170, 60.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.090 - 2.000
R-factor	0.2087
Rwork	0.207
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.090	45.090	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.165	0.075	2.272
Rmeas	0.174	0.079	2.382
Number of reflections	46806	572	3414
<I/σ(I)>	9.54
Completeness [%]	99.2
Redundancy	11.4
CC(1/2)	0.997	0.996	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M tri-Lithium citrate, 20 v/v% PEG3350