2OU7

Structure of the Catalytic Domain of Human Polo-like Kinase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-26
Detector	ADSC QUANTUM 210
Spacegroup name	P 32 2 1
Unit cell lengths	65.958, 65.958, 154.045
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.900 - 2.400
R-factor	0.20463
Rwork	0.203
R-free	0.23534
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1MQ4 (residues 274-307 deleted).
RMSD bond length	0.009
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	14898
<I/σ(I)>	23.26	1.85
Completeness [%]		71.6
Redundancy	5.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Protein buffer: 50 mM HEPES, pH 7.5, 5 mM TCEP. Protein was incubated on ice with 5 mM ligand (1:20 dilution of 100 mM stock in H2O for AMPPNP or DMSO for PHA-680626) for 0.5-1 h, followed by a brief centrifugation step and drop setting at RT (0.5 microliter protein + 0.5 microliter reservoir solution consisting of 500 mM magnesium acetate, 10 % PEG 4000 and 0.3 mM zinc acetate for AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 277K