4O6W

Peptide-Based Inhibitors of Plk1 Polo-box Domain

Replaces:  4MLU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	35.819, 51.275, 58.006
Unit cell angles	90.00, 101.19, 90.00

Refinement procedure

Resolution	14.860 - 1.448
R-factor	0.1854
Rwork	0.184
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.844
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge		0.225
Number of reflections	35356
<I/σ(I)>		2.6
Completeness [%]	100.0	94.2
Redundancy		2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	13% (w/v) PEG 3350, 0.1 M HEPES pH 7.5 and 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K