1Q4O

The structure of the polo box domain of human Plk1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-06
Detector	MARRESEARCH
Wavelength(s)	0.998
Spacegroup name	P 1
Unit cell lengths	32.741, 42.021, 80.727
Unit cell angles	103.16, 93.88, 91.32

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.198
Rwork	0.198
R-free	0.28800
Structure solution method	SAD
Starting model (for MR)	Model derived from a SOLVE phased map from data of a Se-Met derivative
RMSD bond length	0.017
RMSD bond angle	1.720
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.050 *	0.146 *
Total number of observations	103961 *
Number of reflections	20156
<I/σ(I)>	8.4	3.6
Completeness [%]	95.2	92
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	4 *	PEG 4000, sodium citrate and ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6	4 *	PEG 4000, sodium citrate and ammonium acetate, pH 6.0, 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	PEG4000	5-10 (%(v/v))
3	1	reservoir	sodium citrate	0.1 (M)	pH6.0
4	1	reservoir	ammonium acetate	0.1 (M)