2ZJX

Bovine pancreatic trypsin inhibitor (BPTI) containing only the [5,55] disulfide bond

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-10-04
Spacegroup name	P 1 21 1
Unit cell lengths	25.065, 40.792, 54.879
Unit cell angles	90.00, 100.93, 90.00

Refinement procedure

Resolution	26.940 - 1.090
R-factor	0.1831
R-free	0.20900
Structure solution method	AB INITIO
RMSD bond length	0.013
RMSD bond angle	0.030
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]	26.940
High resolution limit [Å]	1.090	1.090
Number of reflections	40917

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