7UKP

Integrin alaphIIBbeta3 complex with a gantofiban analog

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	PIXEL
Collection date	2014-08-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	259.322, 144.495, 104.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.252 - 2.801
R-factor	0.219411892317
Rwork	0.219
R-free	0.24076
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t3p
RMSD bond length	0.006
RMSD bond angle	0.575
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	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	96001	14555
<I/σ(I)>	5.48
Completeness [%]	99.5
Redundancy	3.6
CC(1/2)	0.989	0.112

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