6Z3F

VEGF-A 13:107 crystallized with 2C bicyclic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-02-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.272
Spacegroup name	P 21 21 21
Unit cell lengths	54.419, 55.824, 77.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.550 - 2.100
R-factor	0.2122
Rwork	0.210
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FLT1
RMSD bond length	0.002
RMSD bond angle	0.529
Data reduction software	XDS (1.18_3855)
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]	45.310	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.132	0.701
Rmeas	0.141	0.748
Rpim	0.050	0.267
Number of reflections	14341	8871
<I/σ(I)>	8.1	2.2
Completeness [%]	99.9	99.8
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	(VEGF)2:2 PEPTIDE_3C COMPLEX PURIFIED ON SEC AND CONCENTRATED AT 17MG/ML IN TRIS/HCL 10MM PH 8.5. MIX 1UL OF COMPLEX WITH 1 UL OF RESERVOIR : NAOAC/HCL 100MM PH 4.5 / MPD 35% (V/V) / (NH4)2PO4 150MM