9JU1

Helix-loop-helix peptide (VS42-LR3) in complex with VEGF-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 65 2 2
Unit cell lengths	42.982, 42.982, 309.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.251 - 1.450
Rwork	0.216
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.919
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.240	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.060	0.786
Rmeas	0.061	0.807
Rpim	0.014	0.183
Total number of observations	652847	30171
Number of reflections	31964	1558
<I/σ(I)>	22.3	1.8
Completeness [%]	100.0
Redundancy	20.4	19.4
CC(1/2)	0.999	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8	277	0.1M Tris-HCl pH 8.0, 0.2M NaCl, 2.5M Ammonium Sulfate, 0.04% NaN3