3CI7

Crystal structure of a simplified BPTI containing 20 alanines

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-02-02
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	49.508, 57.222, 71.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 1.400
R-factor	0.1513
R-free	0.20520
Structure solution method	AB INITIO
Starting model (for MR)	5pti
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.760
High resolution limit [Å]	1.400	1.400
Number of reflections	38836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	Tris-HCl, pH8.7, Lithium sulfate, PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K