6CKB

Crystal structure of an extended beta3 integrin P33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	59.080, 80.910, 126.720
Unit cell angles	90.00, 96.36, 90.00

Refinement procedure

Resolution	58.700 - 2.800
R-factor	0.2422
Rwork	0.239
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.052
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.700	2.890
High resolution limit [Å]	2.800	2.800
Number of reflections	29474
<I/σ(I)>	8.6
Completeness [%]	100.0
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	20% PEG 6000, 0.1 M Tris-HCl (pH 8.5)