1F0U

BOVINE TRYPSIN COMPLEXED WITH RPR128515

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1996-12-01
Detector	MACSCIENCE DIP100S
Spacegroup name	P 21 21 21
Unit cell lengths	63.730, 63.890, 69.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 1.800 *
R-factor	0.179 *
Rwork	0.172
RMSD bond length	0.007 *
RMSD bond angle	1.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.800 *	1.900
Rmerge	0.039 *	0.135 *
Number of reflections	26598 *
<I/σ(I)>	7
Completeness [%]	99.7 *	97.3 *
Redundancy	3.6	4.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	19 *	1.85-1.9M ammonium sulfate, 50 mM Mes-NaOH pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES-NaOH	50 (mM)
2	1	drop		1 (mM)
3	1	drop	benzamidine	60 (mM)
4	1	drop	protein	30 (mg/ml)
5	1	reservoir	ammonium sulfate	1.85-1.90 (M)
6	1	reservoir	MES- NaOH	50 (mM)