2V5Q

CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN

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	2006-07-20
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	62.329, 135.225, 136.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.080 - 2.300
R-factor	0.184
Rwork	0.182
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PLK-1 - HOMOLOGY MODEL FROM PDB ENTRY 1OL5 DARPIN 3H10 - PDB ENTRY 1MJ0 TRUNCATED AFTER RESIDUE 141
RMSD bond length	0.011
RMSD bond angle	1.265
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (1.3)
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.200	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.060	0.400
Number of reflections	51702
<I/σ(I)>	15.7	3.3
Completeness [%]	99.3	99.3
Redundancy	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			303	0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT AT 303 K.