4JFX

Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 32 2 1
Unit cell lengths	152.854, 152.854, 85.294
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.156 - 1.950
R-factor	0.1648
Rwork	0.163
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.196
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.097	0.033	0.668
Number of reflections	83545
<I/σ(I)>	9.3
Completeness [%]	99.9	99.7	100
Redundancy	4.1	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	20% PEG3350, 0.2M KCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K