4YYP

Crystal structure of human PLK4-PB3 in complex with STIL-CC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	86.570, 136.330, 33.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.800 - 2.600
R-factor	0.2208
Rwork	0.217
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p34
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.100	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.150	2.370
Number of reflections	6428
<I/σ(I)>	10.3	0.9
Completeness [%]	99.7	99
Redundancy	6.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Thin needles grew in precipitant solution containing 100 mM Hepes, pH 7.0, 20 mM MgCl2 and 22% Poly(acrylic acid sodium salt) 5100. After extensive optimization and seeding plate-like crystals were grown in a drop consisting of 50% PLK4-PB3/STIL-CC complex solution, 33.3% precipitant solution (100 mM phosphate/citrate pH 4.2, 40% (v/v) Ethanol, 5% (w/v) PEG 1000) and 16.7% of seed stock solution.