1Z9G

Crystal Structure Analysis of Thermolysin Complexed with the Inhibitor (R)-retro-thiorphan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	298
Detector technology	FILM
Collection date	1987
Detector	KODAK
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	94.000, 94.000, 132.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.187
Rwork	0.187
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3TLN
RMSD bond length	0.022
RMSD bond angle	3.250
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.700
Rmerge	0.058
Number of reflections	27574
Completeness [%]	72.0
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	dilution with H2O	7.2	277	Tris acetate, calcium acetate, DMSO, pH 7.2, dilution with H2O, temperature 277K