4HAB

Crystal structure of Plk1 Polo-box domain in complex with PL-49

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	95.043, 95.043, 240.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.2603
Rwork	0.260
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.026
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.277	88.277	2.790
High resolution limit [Å]	2.650	8.380	2.650
Rmerge		0.031	0.348
Number of reflections	32192
<I/σ(I)>	14.4	19.2	2
Completeness [%]	98.6	90.6	99.8
Redundancy	4	3.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	10	293	0.1M CAPS pH 8, 0.2M LiSO4, 0.8M K2HPO4 NaH2PO4, vapor diffusion, temperature 293K