1G83

CRYSTAL STRUCTURE OF FYN SH3-SH2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	277
Detector technology	CCD
Collection date	1999-04-30
Detector	MARRESEARCH
Wavelength(s)	0.9402
Spacegroup name	P 1 21 1
Unit cell lengths	39.970, 89.960, 60.270
Unit cell angles	90.00, 101.44, 90.00

Refinement procedure

Resolution	37.000 - 2.600
R-factor	0.214 *
Rwork	0.214
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.660
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.800	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.074 *	0.430
Total number of observations	69967 *
Number of reflections	10431 *
<I/σ(I)>	6.3	1.5
Completeness [%]	82.0	83.4
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	295	PEG 8000, sodium tartrate, TRIS , pH 6.0, VAPOR DIFFUSION, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	10 (mM)
2	1	drop		1 (M)
3	1	drop	protein	16 (mg/ml)
4	1	reservoir	sodium tartrate	0.25 (M)
5	1	reservoir	PEG8000	12 (%)
6	1	reservoir	Tris-HCl	100 (mM)