6ZBR

VEGF-A 13:107 crystallized with 4C 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	54.075, 55.603, 77.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.090 - 1.600
R-factor	0.2054
Rwork	0.204
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flt
RMSD bond length	0.010
RMSD bond angle	1.265
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]	55.600	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	0.682
Rmeas	0.082	0.726
Rpim	0.027	0.246
Number of reflections	31383	4517
<I/σ(I)>	11.3	2.4
Completeness [%]	100.0	100
Redundancy	8.8
CC(1/2)	0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	(VEGF)2:2 PEPTIDE_4C 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