3F6X

c-Src kinase domain in complex with small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	63.697, 74.488, 84.652
Unit cell angles	89.06, 89.97, 78.43

Refinement procedure

Resolution	34.990 - 2.350
Rwork	0.234
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oiq
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	58518
<I/σ(I)>	10	4.1
Completeness [%]	92.1	93.9
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M MES pH 6.5, 10 % glycerol, 25 mM ammonium acetate, 50 mM sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K