3P72

structure of platelet Glycoprotein 1b alpha with a bound peptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.87300
Spacegroup name	P 31 2 1
Unit cell lengths	58.817, 58.817, 163.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.300 - 1.900
R-factor	0.22061
Rwork	0.217
R-free	0.28627
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.938
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	54.300
High resolution limit [Å]	1.900
Rmerge	0.105
Number of reflections	25267
<I/σ(I)>	12.4
Completeness [%]	100.0
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	1.9M ammonium sulfate, 80mM lithium sulfate, 100mM N-cyclohexyl-3-aminopropanesulfonic acid buffer. 1:1 mix buffer with 4mg/mL protein. lyophilised peptide added directly to crystallised protein drops., pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K