5J19

phospho-Pon binding-induced Plk1 dimerization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	C 2 2 21
Unit cell lengths	84.880, 91.997, 159.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.828 - 2.000
R-factor	0.2142
Rwork	0.213
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1umw
RMSD bond length	0.009
RMSD bond angle	1.161
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.082	0.040	0.620
Total number of observations	233958
Number of reflections	42369
<I/σ(I)>	12.7
Completeness [%]	98.6	91.6	100
Redundancy	5.5	5	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	289	PEG 3350, NaCOOH