4CSV

Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-29
Detector	ADSC QUANTUM 315
Spacegroup name	I 1 2 1
Unit cell lengths	71.029, 56.869, 76.118
Unit cell angles	90.00, 116.62, 90.00

Refinement procedure

Resolution	62.430 - 2.050
R-factor	0.19044
Rwork	0.187
R-free	0.24159
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4CDS
RMSD bond length	0.010
RMSD bond angle	1.420
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP (AUTO MR)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.360	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.040	0.410
Number of reflections	15954
<I/σ(I)>	10.1	2
Completeness [%]	93.1	96.8
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	10 MG/ML OF LYSINE MODIFIED (ETHYLATED) PROTEIN IN 30 MM TRIS PH 8.0, 500 MM NACL, 1 MM GLEEVEC, MIXED 1:1 WITH 200 MM AMMONIUM ACETATE, 100 MM SODIUM ACETATE TRIHYDRATE PH 4.6 AND 30% PEG 4000, HANGING DROP, MICRO SEEDING WITH INITIAL CRYSTALS FROM A 96 WELL PLATE SCREEN, INITIAL CRYSTALS GREW ON A DUST PARTICLE, 18C