5UU8

Tetragonal thermolysin cryocooled to 100 K with 30% 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	2015-08-27
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	97.500, 97.500, 107.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.304 - 2.500
R-factor	0.230457041423
Rwork	0.229
R-free	0.28902
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.409
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]	20.304
High resolution limit [Å]	2.400	2.400
Number of reflections	31571
<I/σ(I)>	5.8	1.4
Completeness [%]	99.2	99.6
Redundancy	4.2	4.1
CC(1/2)	0.985	0.761

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