6OM1

Crystal structure of an atypical integrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-10-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	144.240, 55.070, 175.070
Unit cell angles	90.37, 107.00, 90.01

Refinement procedure

Resolution	48.072 - 2.660
R-factor	0.2486
Rwork	0.248
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4um9
RMSD bond length	0.003
RMSD bond angle	0.736
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]	48.072	2.730
High resolution limit [Å]	2.660	2.660
Rmerge	0.094
Rmeas	0.133
Number of reflections	141394	10550
<I/σ(I)>	5.87
Completeness [%]	95.5	96.8
Redundancy	1.7	1.7
CC(1/2)	0.994	0.199

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