9CY8

Constrained b-hairpins targeting the EphA4 ligand binding domain

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953
Spacegroup name	C 2 2 2
Unit cell lengths	113.059, 128.053, 34.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.150 - 2.500
R-factor	0.2155
Rwork	0.213
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.699
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.150	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.175
Number of reflections	15002	669
<I/σ(I)>	10.6
Completeness [%]	99.8
Redundancy	8
CC(1/2)	0.997	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Citric acid, pH 3.5, and 25% (w/v) PEG 3350