6D5O

Hexagonal thermolysin (295 K) in the presence of 50% DMF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Agilent SuperNova
Temperature [K]	295
Detector technology	CCD
Collection date	2016-07-23
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	93.931, 93.931, 131.656
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.967 - 2.000
R-factor	0.154942231798
Rwork	0.153
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.489
Data scaling software	SCALA
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.970	2.110
High resolution limit [Å]	2.000	2.000
Rmeas	0.154
Number of reflections	23548
<I/σ(I)>	8.5	2.3
Completeness [%]	99.0
Redundancy	6.2
CC(1/2)	0.993	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein: 100 mg/mL in 45% DMSO Well: 2 M AmSO4