1PE5

Thermolysin with tricyclic inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	UCSD MARK III
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	93.800, 93.800, 131.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.155
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.800
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	30.450
High resolution limit [Å]	1.650
Rmerge	0.070
Number of reflections	33083
Completeness [%]	86.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	VAPOR DIFFUSION, temperature 298K