4P5Z

Human EphA3 Kinase domain in complex with quinoxaline derivatives

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.99989
Spacegroup name	P 1 21 1
Unit cell lengths	52.805, 38.235, 75.465
Unit cell angles	90.00, 101.46, 90.00

Refinement procedure

Resolution	47.018 - 2.002
R-factor	0.1805
Rwork	0.178
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qob
RMSD bond length	0.014
RMSD bond angle	1.658
Data reduction software	XDS (20140115)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.960	47.018	2.110
High resolution limit [Å]	2.002	6.330	2.000
Rmerge		0.029	0.586
Rmeas	0.075
Rpim	0.029	0.012	0.245
Total number of observations	130503	4147	18334
Number of reflections	20066
<I/σ(I)>	15.6	43.9	3
Completeness [%]	99.1	99.1	96.2
Redundancy	6.5	6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M sodium cacodylate pH 6.5, 0.15M ammonium sulfate, 22.5% PEG 3350