7U9F

Integrin alpha IIB beta3 complex with BMS compound 4 in Mn2+

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	2014-11-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97938
Spacegroup name	P 21 21 2
Unit cell lengths	259.397, 144.292, 104.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.086 - 2.700
R-factor	0.216968496148
Rwork	0.217
R-free	0.23742
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nig
RMSD bond length	0.006
RMSD bond angle	0.532
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	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.100	0.995
Number of reflections	107262	6873
<I/σ(I)>	5.5
Completeness [%]	98.4
Redundancy	5.2

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