1FJT

THERMOLYSIN (50% ACETONITRILE SOAKED CRYSTALS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	2000-11-06
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	93.811, 93.811, 131.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.149
R-free	0.20900
Structure solution method	isomorphous replacement
RMSD bond length	0.013
RMSD bond angle	0.032
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.270
High resolution limit [Å]	2.200	2.150
Rmerge	0.090	0.380
Number of reflections	19030
<I/σ(I)>	5.7
Completeness [%]	93.0 *	91
Redundancy	8.5	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	298	English, A.C., (1999) Proteins Struct.Funct.Genet., 37, 628. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	4.6 (mM)
2	1	1	DMSO	45 (%)
3	1	1	Tris-HCl	50 (mM)
4	1	1		2.5 (M)