8ZM4

Crystal structure of Thermolysin (Dose I)

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	92.919, 92.919, 128.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.090 - 1.400
R-factor	0.14882
Rwork	0.148
R-free	0.16730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.780
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	61500	3536
<I/σ(I)>	28.25
Completeness [%]	100.0
Redundancy	38.4
CC(1/2)	0.998	0.859

Crystallization Conditions

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