3ZDX

Integrin alphaIIB beta3 headpiece and RGD peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID
Synchrotron site	APS
Beamline	23-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	259.710, 144.960, 104.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.361 - 2.450
R-factor	0.163
Rwork	0.163
R-free	0.19710
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3t3p
RMSD bond length	0.007
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.150	0.810
Number of reflections	145557
<I/σ(I)>	10.2	2.8
Completeness [%]	99.9	99.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.9		11% PEG 8000, 0.2 M AMMONIUM SULFATE, 0.1 M TRIS-HCL, PH 8.9