3ZDY

Integrin alphaIIB beta3 headpiece and RGD peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23ID
Synchrotron site	APS
Beamline	23ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	257.760, 145.250, 106.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 2.450
R-factor	0.1823
Rwork	0.182
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t3p
RMSD bond length	0.005
RMSD bond angle	0.570
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	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.200	1.390
Number of reflections	146427
<I/σ(I)>	7	1.6
Completeness [%]	99.9	99.5
Redundancy	6.7

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