1K1N

BOVINE TRYPSIN-INHIBITOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1999-06-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	54.798, 58.273, 67.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.168
Rwork	0.168
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	1.842 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.147	0.494
Total number of observations	82823 *
Number of reflections	14371
<I/σ(I)>	9.3	3
Completeness [%]	94.8	91.4
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	reservoir	PEG4000	24-30 (%)
3	1	reservoir	sodium phosphate	0.1 (M)	pH7.3