2QOF

Human EphA3 kinase and juxtamembrane region, Y596F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-22
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	54.322, 38.281, 76.079
Unit cell angles	90.00, 102.37, 90.00

Refinement procedure

Resolution	34.060 - 1.200
R-factor	0.182
Rwork	0.181
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gsf
RMSD bond length	0.007
RMSD bond angle	1.209
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.059	0.039	0.713
Number of reflections	95805
<I/σ(I)>	12.5
Completeness [%]	99.9	99.1	100
Redundancy	4	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20 mg/mL Protein, 25% PEG 3350, 0.2M Ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K