9OZY

Gradient equilibration of hexagonal thermolysin to low salt over 15 minutes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	294
Detector technology	CCD
Collection date	2025-05-28
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	93.572, 93.572, 131.042
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.710 - 1.750
R-factor	0.16
Rwork	0.159
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.078
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	34729	1851
<I/σ(I)>	6.1
Completeness [%]	99.7
Redundancy	5.1
CC(1/2)	0.982	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	well: 2 M AmSO4; Drop: 45% DMSO