4WHL

A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	93
Detector technology	CCD
Collection date	2013-05-09
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	57.760, 57.760, 137.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.710
R-factor	0.1854
Rwork	0.182
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.627
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	6904
<I/σ(I)>	8.8
Completeness [%]	99.9
Redundancy	16.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1M Citric acid, 28% PEG8000