1QCP

CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-07
Detector	RIGAKU RAXIS
Spacegroup name	P 31 2 1
Unit cell lengths	54.430, 54.430, 107.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.800
Rwork	0.175
R-free	0.23700
RMSD bond length	0.005
RMSD bond angle	27.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	99.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.039	0.204
Number of reflections	17773
<I/σ(I)>	21.9
Completeness [%]	99.7	98.6
Redundancy	12	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		VAPOR DIFFUSION, PH 8.5, 298K, AMMONIUM SULFATE, TRIS/HCL BUFFER

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	ammonium sulfate	1.75 (M)	or 1.6M MgSO4