5YI7

Crystal structure of drosophila Numb PTB domain and Pon peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 31 1 2
Unit cell lengths	65.593, 65.593, 143.879
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.865 - 1.700
R-factor	0.1949
Rwork	0.194
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f0w
RMSD bond length	0.011
RMSD bond angle	1.138
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.056	0.026	0.795
Rmeas	0.059	0.028	0.838
Rpim	0.018	0.009	0.260
Total number of observations	384771
Number of reflections	39132	2043	1916
<I/σ(I)>	12.7
Completeness [%]	99.3	97.7	97.7
Redundancy	9.8	10.6	9.4
CC(1/2)		0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.3	289	0,2M MgCl2.6H2O,25% PEG 3350,0.1M Bis-Tris