3DKO

Complex between the kinase domain of human ephrin type-a receptor 7 (epha7) and inhibitor alw-ii-49-7

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	2008-06-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 65
Unit cell lengths	52.658, 52.658, 217.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.690 - 2.000
R-factor	0.19118
Rwork	0.189
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rei
RMSD bond length	0.011
RMSD bond angle	1.156
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	21903
<I/σ(I)>	38.92	4.19
Completeness [%]	95.4	98.1
Redundancy	9.9	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	WELL SOLUTION: 25% PEG 3350, 0.1 M NH4 SULPHATE, 0.1 M HEPES PH 7.5. PROTEIN SOLUTION: 15 MG/ML. DROPS: 1:1 RATIO OF WELL:PROTEIN SOLUTION. CRYSTALS CRYOPROTECTED BY TRANSFER TO DROP CONTAINING MOTHER LIQUOR TO WHICH MPD WAS ADDED TO 25%, , pH 7.50, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K