6OM2

Crystal structure of atypical integrin alphaV beta8 with proTGF-beta1 ligand peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	297
Detector technology	PIXEL
Collection date	2017-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	161.190, 53.850, 176.620
Unit cell angles	90.00, 111.47, 90.00

Refinement procedure

Resolution	47.426 - 2.770
R-factor	0.2522
Rwork	0.251
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4um9
RMSD bond length	0.003
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.426	2.840
High resolution limit [Å]	2.770	2.770
Rmerge	0.112	1.577
Rmeas	0.134	2.043
Number of reflections	71992	4828
<I/σ(I)>	8.38
Completeness [%]	98.5	89.3
Redundancy	3.2	2.2
CC(1/2)	0.996	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	277	100 mM MES, pH 6.7, 12% PEG 20000