4U1P

Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93340
Spacegroup name	P 43 21 2
Unit cell lengths	39.248, 39.248, 145.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.000 - 1.400
R-factor	0.153
Rwork	0.151
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g83
RMSD bond length	0.010
RMSD bond angle	1.301
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.340	1.450
High resolution limit [Å]	1.400	1.400
Rmerge		0.361
Number of reflections	23359
<I/σ(I)>	24.43	7.73
Completeness [%]	99.9	99.96
Redundancy	14.7	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MOPS/Na HEPES pH 7.5, 0.12 M monosaccharide mixture, PEG 1000, 12.5%(w/v) PEG 3350 and 12.5%(v/v) MPD