2VDN

Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Eptifibatide

Replaces:  1TY6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-04
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	149.593, 149.593, 175.683
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.190 - 2.900
R-factor	0.166
Rwork	0.163
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TXV
RMSD bond length	0.005
RMSD bond angle	0.922
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.150	0.620
Number of reflections	50647
<I/σ(I)>	14.9	2.7
Completeness [%]	100.0	100
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	11% PEG 3350, 0.7 M MAGNESIUM ACETATE, 0.1 M IMIDAZOLE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K