1F5R

RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1998-12-09
Detector	RIGAKU RAXIS IV
Spacegroup name	P 32 2 1
Unit cell lengths	92.568, 92.568, 62.126
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.690 - 1.650
R-factor	0.189 *
Rwork	0.189
R-free	0.22000
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.690	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.050	0.242
Total number of observations	195481 *
Number of reflections	35860 *
<I/σ(I)>	18.56
Completeness [%]	93.6	80.9
Redundancy	5.45	1.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	298	22% PEG 3380, 300 mM Ammonium acetate, 100 mM Sodium acetate, , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop		1 (mM)
3	1	drop		10 (mM)
4	1	drop	BPTI
5	1	reservoir	PEG3380	22 (%)
6	1	reservoir	ammonium acetate	0.3 (M)
7	1	reservoir	sodium citrate	0.1 (M)