4ZMP

Crystal structure of human P-cadherin (ss-dimer Q101L)

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	2013-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	120.700, 77.990, 49.230
Unit cell angles	90.00, 105.78, 90.00

Refinement procedure

Resolution	35.740 - 2.150
R-factor	0.22343
Rwork	0.222
R-free	0.25199
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zmn
RMSD bond length	0.018
RMSD bond angle	2.003
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.740	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.085	0.490
Number of reflections	22729
<I/σ(I)>	8.6	2.3
Completeness [%]	95.2	89.7
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30% PEG 400 150 mM CaCl2 5% glycerol 95 mM HEPES