5UUA

Tetragonal thermolysin cryocooled to 100 K with 50% 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	2015-08-24
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	96.705, 96.705, 106.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.036 - 1.600
R-factor	0.145369092285
Rwork	0.145
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.078
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]	21.200
High resolution limit [Å]	1.600	1.600
Number of reflections	127553
<I/σ(I)>	29.3	2.2
Completeness [%]	100.0	100
Redundancy	20.5	13.1
CC(1/2)	0.999	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnC2