6NJZ

EphA2 LBD in complex with YSA-GSGSK-bio 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	2018-03-09
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	I 1 2 1
Unit cell lengths	44.775, 88.224, 153.414
Unit cell angles	90.00, 90.79, 90.00

Refinement procedure

Resolution	24.580 - 1.900
R-factor	0.1712
Rwork	0.169
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hei
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14rc2_3191)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.980	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	44891	2943
<I/σ(I)>	10.9	1.4
Completeness [%]	95.7	93
Redundancy	2.8	2.8
CC(1/2)	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.09M BIS-TRIS pH5.5, 22.5% w/v PEG 3,350, 3% w/v 6-aminohexanoic acid