5UUD

Tetragonal thermolysin cryocooled to 100 K with 50% dmf 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	96.440, 96.440, 105.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.887 - 1.600
R-factor	0.167090365816
Rwork	0.166
R-free	0.19325
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.789
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]	20.880
High resolution limit [Å]	1.600	1.600
Number of reflections	125444
<I/σ(I)>	20.1
Completeness [%]	100.0	100
Redundancy	9.6	6.1
CC(1/2)	0.999	0.606

Crystallization Conditions

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