8ZM6

Crystal structure of Thermolysin (Dose III)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 61 2 2
Unit cell lengths	93.141, 93.141, 128.777
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.180 - 1.400
R-factor	0.15238
Rwork	0.152
R-free	0.17244
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.758
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.370
High resolution limit [Å]	1.350	1.350
Number of reflections	74793	3665
<I/σ(I)>	32.89
Completeness [%]	100.0
Redundancy	32.6
CC(1/2)	0.996	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Tris, Ammonium sulfate