4JFZ

Structure of phosphoserine (pSAb) 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	43.504, 94.870, 120.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.560 - 1.750
R-factor	0.156
Rwork	0.154
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.315
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]	120.583	74.560	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.026	0.713
Total number of observations		6702	28428
Number of reflections	51060
<I/σ(I)>	7.4	23.9	1
Completeness [%]	99.6	99.7	99.5
Redundancy	3.9	3.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	278	23% PEG1500, 0.1M PCB, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K