5NN1

The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	33.216, 93.353, 36.395
Unit cell angles	90.00, 102.04, 90.00

Refinement procedure

Resolution	46.676 - 1.785
R-factor	0.2069
Rwork	0.205
R-free	0.24460
RMSD bond length	0.007
RMSD bond angle	1.080
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.353	1.791
High resolution limit [Å]	1.785	1.785
Rmerge	0.042	0.576
Rpim	0.021	0.294
Number of reflections	20634	202
<I/σ(I)>	16.2
Completeness [%]	100.0	95.3
Redundancy	4.4	4.8
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	200 mM Na/K Tartrate, 10-20% PEG3350