4YUR

Crystal Structure of Plk4 Kinase Domain Bound to Centrinone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	I 2 3
Unit cell lengths	125.805, 125.805, 125.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.900 - 2.650
R-factor	0.2024
Rwork	0.199
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cok
RMSD bond length	0.008
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.900	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.102	2.374
Number of reflections	9793
<I/σ(I)>	30.4	1.7
Completeness [%]	100.0	100
Redundancy	22.2	22.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	297	0.1 M HEPES, 0.2 M MgCl2, 30% PEG 400