3L95

Crystal structure of the human Notch1 Negative Regulatory Region (NRR) bound to the fab fragment of an antagonist antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	CCD
Collection date	2008-04-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	46.254, 163.934, 179.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.190
R-factor	0.22721
Rwork	0.222
R-free	0.27076
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb 2OO4 fab fragment
RMSD bond length	0.008
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.320
High resolution limit [Å]	2.190	2.190
Number of reflections	69923
<I/σ(I)>	14.9	4.2
Completeness [%]	97.4	88.5
Redundancy	6.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	292	Equal volumes of protein and well solutions. Protein: 6 mg/mL in 150 mM NaCl, 20 mM Bis-Tris pH 6.5. Well solution: 300 mM di-Ammonium Sulfate, 20% PEG 5000 MME, 100 mM Tris pH 7.5, VAPOR DIFFUSION, temperature 292K