1S0R

Bovine Pancreatic Trypsin inhibited with Benzamidine at Atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-09
Detector	MARRESEARCH
Wavelength(s)	1.02
Spacegroup name	P 21 21 21
Unit cell lengths	54.393, 58.424, 66.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.020
R-factor	0.112
Rwork	0.111
R-free	0.13690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s0q
RMSD bond length	0.016
RMSD bond angle	0.030
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.060
High resolution limit [Å]	1.020	1.020
Number of reflections	94365
Completeness [%]	91.9	70.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		PEG 6000, Benzamidine, Amonum Sulphate, Calcium Chloride, TRIS-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 100K