1KSW

Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-09-16
Detector	PRINCETON 2K
Wavelength(s)	0.917
Spacegroup name	P 21 21 21
Unit cell lengths	50.810, 87.680, 106.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.231 *
Rwork	0.231
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2src
RMSD bond length	0.013 *
RMSD bond angle	1.771 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.800
Rmerge	0.071 *
Total number of observations	46549 *
Number of reflections	12715
Completeness [%]	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	22 *	12% PEG 4000, 50mM PIPES pH 6.5, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	HEPES	20 (mM)	pH7.6
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	drop	N6-(benzyl)ADP	1 (mM)
6	1	reservoir	PIPES	50 (mM)	pH6.5
7	1	reservoir	PEG4000	12 (%)
8	1	reservoir	dithiothreitol	10 (mM)