1Q4K

The polo-box domain of Plk1 in complex with a phospho-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	57.071, 56.888, 85.050
Unit cell angles	91.45, 103.21, 118.50

Refinement procedure

Resolution	24.700 * - 2.300
R-factor	0.24832
Rwork	0.245
R-free	0.31300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unliganded polo box domain
RMSD bond length	0.014 *
RMSD bond angle	1.670 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700 *	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.065 *	0.258 *
Total number of observations	71256 *
Number of reflections	35628 *
<I/σ(I)>	2.7	2.1
Completeness [%]	95.7	96.6
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 20000, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG20000	1-10 (%)
3	1	reservoir	MES	0.1 (M)	pH6.5