5UK5

Complex of Notch1(EGF8-12) bound to Jagged1(N-EGF3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	I 21 21 21
Unit cell lengths	68.457, 127.995, 154.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.741 - 2.506
R-factor	0.2211
Rwork	0.219
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cc0 4xl1
RMSD bond length	0.007
RMSD bond angle	0.860
Data reduction software	HKL-2000
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	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.091	0.052
Rmeas	0.097	0.056
Rpim	0.041	0.021	0.608
Total number of observations	175202
Number of reflections	23570
<I/σ(I)>	7.9
Completeness [%]	100.0	99.6	100
Redundancy	7.4	7.1	7.5
CC(1/2)		0.997	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	293	22.5% PEG 1000, 0.1 M MES pH 6.6, 3% dextran sulfate Mr(5000)