4JG0

Structure of phosphoserine/threonine (pSTAb) scaffold bound to pSer 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 21 21 21
Unit cell lengths	43.952, 95.889, 119.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.891 - 1.810
R-factor	0.1633
Rwork	0.161
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.901
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]	119.917	95.889	1.910
High resolution limit [Å]	1.810	5.720	1.810
Rmerge		0.036	0.665
Number of reflections	47043
<I/σ(I)>	6.3	16.5	1.1
Completeness [%]	99.8	99.8	99.6
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	278	22% PEG1500, 0.1M PCB, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K