4JG1

Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr 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	2012-09-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	43.807, 95.591, 119.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.143 - 1.550
R-factor	0.1518
Rwork	0.151
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 3N9G 2gcy
RMSD bond length	0.010
RMSD bond angle	1.353
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	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.065	0.036	0.508
Number of reflections	72575
<I/σ(I)>	13.5
Completeness [%]	98.0	99.9	88.1
Redundancy	5.6	6.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	278	25% PEG1500, 0.1M PCB, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 278K