5UU9

Tetragonal thermolysin cryocooled to 100 K with 40% xylose as cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-28
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	96.819, 96.819, 106.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.988 - 1.600
R-factor	0.159721636871
Rwork	0.159
R-free	0.17772
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.967
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.990
High resolution limit [Å]	1.599	1.600
Number of reflections	125129
<I/σ(I)>	14.4
Completeness [%]	99.9	98.9
Redundancy	4.2	2.7
CC(1/2)	0.999	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnCl2 Well:~2 M AmSO4