5BO1

Crystal structure of a human Jag1 fragment in complex with an anti-Jag1 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-06-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	53.258, 80.978, 155.616
Unit cell angles	90.00, 94.39, 90.00

Refinement procedure

Resolution	71.790 - 2.560
R-factor	0.222
Rwork	0.220
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vj2 2r0l
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.790	2.860
High resolution limit [Å]	2.560	2.560
Rmerge	0.130	0.570
Number of reflections	41207
<I/σ(I)>	6.4	1.8
Completeness [%]	96.6	97.9
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	292	100 mM CHES pH 9.5, 20% PEG8000