5UN3

Tetragonal thermolysin (295 K) in the presence of 50% xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	295
Detector technology	CCD
Collection date	2015-10-19
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	97.659, 97.659, 108.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.210 - 1.600
R-factor	0.161675976423
Rwork	0.161
R-free	0.18128
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.885
Data reduction software	CrysalisPro (1.171.37.34)
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.200	1.690
High resolution limit [Å]	1.600	1.600
<I/σ(I)>	10.1
Completeness [%]	99.4	99.2
Redundancy	4.2	2.7
CC(1/2)	0.998	0.258

Crystallization Conditions

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