3WIH

Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-05
Detector	RAYONIX MX225HE
Wavelength(s)	0.90000
Spacegroup name	C 1 2 1
Unit cell lengths	159.474, 102.601, 97.236
Unit cell angles	90.00, 127.57, 90.00

Refinement procedure

Resolution	14.906 - 1.701
R-factor	0.1916
Rwork	0.189
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1X5H for CHAIN A(B) 3OZ9 for CHAIN L(M) H(I)
RMSD bond length	0.003
RMSD bond angle	0.774
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.035	0.024	0.215
Number of reflections	128266
<I/σ(I)>	15.4
Completeness [%]	94.4	94.7	91.9
Redundancy	2.9	3.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	25.5%(w/v) PEG4000, 0.085M Na citrate tribasic dehydrate, 0.17M ammonium acetate, 15%(v/v) glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K