7U9V

Integrin alpha IIB beta3 complex with BMS4-1

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]	100
Detector technology	CCD
Collection date	2014-02-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	257.796, 143.887, 104.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.951 - 2.255
R-factor	0.203690326129
Rwork	0.203
R-free	0.22595
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t3p
RMSD bond length	0.006
RMSD bond angle	0.544
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.166
Number of reflections	348261	25565
<I/σ(I)>	4.15
Completeness [%]	97.7	96.9
Redundancy	10.9
CC(1/2)	0.986	0.136

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	11-13% PEG 8000, 0.2 M Ammonium Sulfate, 0.1 M Tris-HCl, pH 8.9