1BZX

THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	84.120, 84.120, 222.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.206
Rwork	0.206
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ptc PDB ENTRY 2TBS
RMSD bond length	0.010
RMSD bond angle	1.743
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.370
High resolution limit [Å]	2.100	2.100
Rmerge	0.083	0.396 *
Total number of observations	141841 *
Number of reflections	25996
<I/σ(I)>	5.6	2.5
Completeness [%]	97.3	93 *
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		0.1 M HEPES PH 7.5, 0.8-1.2 M POTASSIUM SODIUM TARTRATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	potassium sodium tartrate	0.8-1.2 (M)