5EX3

Crystal structure of human SMYD3 in complex with a VEGFR1 peptide

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	2011-01-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	53.378, 104.659, 117.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.408
R-factor	0.1874
Rwork	0.184
R-free	0.22270
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.153
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.119	0.094	0.529
Total number of observations	179578
Number of reflections	26005
<I/σ(I)>	13.3
Completeness [%]	99.9	99.4	100
Redundancy	6.9	6.3	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.8M NaAC