9FJI

Two PLK1 PBD proteins bound to CENP-U(58-114) phosphorylated at Thr98

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	2021-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9998427444523164
Spacegroup name	P 21 21 2
Unit cell lengths	84.940, 136.420, 60.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.300 - 2.100
R-factor	0.2112
Rwork	0.210
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
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]	36.300	36.300	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.081	0.027	2.088
Rmeas	0.084	0.028	2.166
Number of reflections	41642	540	3032
<I/σ(I)>	18.74
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	1.000	1.000	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.02M Na3-citrate, 0.08 M NaH2(PO4) pH6.2, 18 v/v% PEG2000