5YI8

Crystal structure of drosophila Numb PTB domain and Pon peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9754
Spacegroup name	P 32 2 1
Unit cell lengths	43.392, 43.392, 181.304
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.796 - 2.001
R-factor	0.1929
Rwork	0.191
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f0w
RMSD bond length	0.010
RMSD bond angle	0.951
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.052	0.030	0.762
Rmeas	0.058	0.034	0.870
Rpim	0.025	0.014	0.407
Total number of observations	67717
Number of reflections	14087	791	671
<I/σ(I)>	10.3
Completeness [%]	98.6	95.5	96.7
Redundancy	4.8	5.1	4.3
CC(1/2)		0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	289	0.1M sodium formate, 12% PEG 3350