7L8P

Integrin alphaIIbbeta3 in complex with sibrafiban

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]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-25
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	257.500, 144.680, 104.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.218 - 2.350
R-factor	0.204043486355
Rwork	0.204
R-free	0.24511
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t3p
RMSD bond length	0.006
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.160	1.790
Number of reflections	311963	8709
<I/σ(I)>	4.9
Completeness [%]	99.1	99.2
Redundancy	1.8	1.6
CC(1/2)	0.980	0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	277	11% PEG 8000, 0.2 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K