5X3S

Crystal structure of mouse Plk1-PBD in complex with phosphopeptide from HEF1 (799-809)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	57.564, 59.402, 72.748
Unit cell angles	90.00, 99.47, 90.00

Refinement procedure

Resolution	33.930 - 2.899
R-factor	0.2045
Rwork	0.203
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hik
RMSD bond length	0.004
RMSD bond angle	0.662
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.152	0.114	0.272
Rmeas	0.182	0.133	0.355
Rpim	0.097	0.066	0.225
Total number of observations	23782
Number of reflections	9198
<I/σ(I)>	5.6
Completeness [%]	84.4	91.4	67.3
Redundancy	2.6	3.5	1.7
CC(1/2)		0.982	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	15% PEG 6000, 0.1M sodium citrate