4E3B

Crystal structure of Tax-Interacting Protein-1 (TIP-1) PDZ domain bound to iCAL36-L (ANSRWPTSIL) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	27.074, 33.599, 66.882
Unit cell angles	80.11, 86.88, 89.21

Refinement procedure

Resolution	19.179 - 1.500
R-factor	0.1889
Rwork	0.187
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sfj
RMSD bond length	0.006
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.180	2.570	1.580
High resolution limit [Å]	1.500	2.240	1.500
Rmerge	0.075	0.034	0.403
Number of reflections	34924
<I/σ(I)>	17.57	27.21	4.36
Completeness [%]	94.2	95.8	89.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	25% w/v PEG, 0.25 M potassium thiocyanate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K