5JYM

Human P-cadherin EC12 with scFv TSP11 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	58.700, 83.430, 199.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.910 - 2.450
R-factor	0.22569
Rwork	0.223
R-free	0.27037
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qok
RMSD bond length	0.011
RMSD bond angle	1.468
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.910	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.084	0.540
Number of reflections	36872
<I/σ(I)>	14.5	2.8
Completeness [%]	99.6	97.6
Redundancy	6.7	6.7
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	150 mM CaCl2, 16% PEG 3350