6NK1

EphA2 LBD in complex with bA-WLA-YRPKbio peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-10-01
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	44.684, 48.137, 50.211
Unit cell angles	99.39, 96.79, 90.20

Refinement procedure

Resolution	27.600 - 1.550
R-factor	0.1469
Rwork	0.146
R-free	0.16860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6njz
RMSD bond length	0.008
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.600	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.021	0.108
Rmeas	0.030	0.152
Rpim	0.021	0.108
Total number of observations	104127
Number of reflections	52329	2440
<I/σ(I)>	12.3	4.4
Completeness [%]	87.9	83.4
Redundancy	2	2
CC(1/2)	0.999	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.09 M Sodium-Acetate pH 4.5, 22.5% w/v PEG 3,350, 3% w/v 6-aminohexanoic acid