5NN2

The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490

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	33.360, 93.380, 35.900
Unit cell angles	90.00, 100.72, 90.00

Refinement procedure

Resolution	35.273 - 1.810
R-factor	0.1887
Rwork	0.187
R-free	0.21860
RMSD bond length	0.006
RMSD bond angle	0.987
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]	35.273	1.860
High resolution limit [Å]	1.810	1.810
Rmerge	0.053	0.908
Rpim	0.042	0.599
Number of reflections	19250	1419
<I/σ(I)>	11.2	1.5
Completeness [%]	97.8	96.8
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	200 mM K/Na Tartrate, 10-20% PEG3350