6Z13

VEGF-A 13:107 crystallized with 3C bicyclic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-01-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	54.256, 55.691, 76.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 1.800
R-factor	0.1965
Rwork	0.194
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flt
RMSD bond length	0.018
RMSD bond angle	1.622
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.18_3855)
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.120	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.068	0.704
Rmeas	0.075	0.773
Rpim	0.030	0.316
Number of reflections	22364	3111
<I/σ(I)>	14.6	2.4
Completeness [%]	99.8	97.2
Redundancy	6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	(VEGF)2:2 peptide_3C complex purified on SEC and concentrated at 9.8mg/ml in Tris/HCl 10mM pH 8.5. Mix of 1ul of complex with 1 ul of reservoir : NaOAc/HCl 100mM pH 4.6 / MPD 36% (v/v) / CaCl2 20mM