4JFY

Apo structure of phosphotyrosine (pYAb) scaffold

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	152.260, 152.260, 83.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.130 - 2.630
R-factor	0.1901
Rwork	0.188
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.857
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	131.861	83.551	2.770
High resolution limit [Å]	2.630	8.320	2.630
Rmerge		0.031	0.969
Total number of observations		9098	25294
Number of reflections	33310
<I/σ(I)>	11.7	18.5	0.8
Completeness [%]	99.6	99.9	97.3
Redundancy	7.8	7.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	292	25% PEG1500, 0.1M MMT, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 292K