3TGI

WILD-TYPE RAT ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 32 2 1
Unit cell lengths	92.720, 92.720, 62.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.177
Rwork	0.177
R-free	0.21000
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	27.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.049 *
Total number of observations	97458 *
Number of reflections	25741
<I/σ(I)>	11
Completeness [%]	88.9	80.3
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5		30% PEG 4000 0.2 M LISO4 0.1 M TRIS PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop		10 (mM)
3	1	reservoir	PEG4000	30 (%)
4	1	reservoir		0.2 (M)
5	1	reservoir	Tris-HCl	0.1 (M)