5THP

Rhodocetin in complex with the integrin alpha2-A domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41
Unit cell lengths	130.763, 130.763, 251.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.867 - 3.006
R-factor	0.2237
Rwork	0.221
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gpr
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1-2155_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.870
High resolution limit [Å]	3.006
Number of reflections	83038
<I/σ(I)>	11.9
Completeness [%]	99.3
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris pH 8.0, 2.65M Ammonium Sulfate