1PE8

Thermolysin with monocyclic 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
Spacegroup name	P 61 2 2
Unit cell lengths	93.700, 93.700, 131.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.139
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.700
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.020	1.940
High resolution limit [Å]	1.800	1.800
Rmerge	0.041	0.123
Number of reflections	31531
<I/σ(I)>	20.2	4.4
Completeness [%]	97.9

Crystallization Conditions

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