1OPK

Structural basis for the auto-inhibition of c-Abl tyrosine kinase

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	2002-12-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0781
Spacegroup name	C 2 2 21
Unit cell lengths	118.328, 123.943, 74.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 * - 1.800
R-factor	0.196
Rwork	0.196
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1M52 2abl
RMSD bond length	0.009
RMSD bond angle	23.000 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.057 *	0.584 *
Total number of observations	560273 *
Number of reflections	50963
<I/σ(I)>	29.6	3.5
Completeness [%]	99.9	100
Redundancy	7.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	20% PEG 3350, 200 mM potassium nitrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	20 (%(w/v))
2	1	reservoir	potassium nitrate	200 (mM)
3	1	drop	Tris-HCl	20 (mM)	pH8.0
4	1	drop		100 (mM)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	protein	35 (mg/ml)