1THL

Thermolysin complexed with a novel glutaramide derivative, n-(1-(2(r,s)-carboxy-4-phenylbutyl) cyclopentylcarbonyl)-(s)-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1991
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 61 2 2
Unit cell lengths	94.100, 94.100, 131.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.162
Rwork	0.162
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3TLN
RMSD bond length	0.017
RMSD bond angle	2.536
Data reduction software	Xuong-Hamlin (Scaling Suite)
Data scaling software	XUONG-HAMLIN ((DETECTOR SYSTEM))
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.600 *
Rmerge	0.066
Number of reflections	34103 *
Completeness [%]	86.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.2	277	TRIS ACETATE, CALCIUM ACETATE, DMSO, PH 7.2, DILUTION WITH H2O, TEMPERATURE 277K