6LYN

CD146 D4-D5/AA98 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	84.203, 88.387, 94.644
Unit cell angles	90.00, 89.93, 90.00

Refinement procedure

Resolution	29.712 - 2.776
R-factor	0.2189
Rwork	0.217
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yec
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.900
High resolution limit [Å]	2.776	6.020	2.800
Rmerge	0.094	0.040
Rmeas	0.104	0.044
Rpim	0.045	0.017	0.453
Number of reflections	30880	3024	3122
<I/σ(I)>	8
Completeness [%]	88.7	84.6	89.9
Redundancy	5.5	5.9	5.3
CC(1/2)		0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M Hepes, pH 7.5, 8~15% w/v Polyethylene glycol 2000 MME