9KKU

Helix-loop-helix peptide (M49) 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	2017-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	56.260, 66.420, 76.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.240 - 1.460
R-factor	0.21854
Rwork	0.217
R-free	0.25038
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.708
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

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		30171
Number of reflections	47938	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	5.6	293	0.2M NH4-AcOH pH 5.6, 14% PEG 3350, 20% 2-Propanol, 0.2M CaCl2,, 0.4M NaCl, 0.04% NaN3