4WYU

Crystal Structure of Scribble PDZ34 tandem in complex with its target peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	37.270, 78.430, 94.080
Unit cell angles	90.00, 99.51, 90.00

Refinement procedure

Resolution	36.758 - 2.500
R-factor	0.1908
Rwork	0.189
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wyt
RMSD bond length	0.004
RMSD bond angle	0.813
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	46.502	2.640
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.121	0.188	0.505
Rmeas	0.270
Rpim	0.133	0.118	0.343
Total number of observations	51169	1076	7821
Number of reflections	18220
<I/σ(I)>	8.8	8.3	3.4
Completeness [%]	98.1	84.2	99.5
Redundancy	4.7	3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	10% (w/v) PEG 3350, 0.2M KI, 0.1M HEPES