7CEB

Crystal structure of alpha6beta1 integrin headpiece

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-20
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	116.520, 251.310, 63.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.570 - 2.890
R-factor	0.2088
Rwork	0.207
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wk0 3vi3 5xcx
RMSD bond length	0.004
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	3.070
High resolution limit [Å]	2.890	2.890
Number of reflections	42251	6580
<I/σ(I)>	12.48	1.63
Completeness [%]	99.6
Redundancy	9.75
CC(1/2)	0.997	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23% PEG1000, 0.2 M NaCl, 0.1 M Na/K phosphate, pH 6.5