5UUC

Tetragonal thermolysin cryocooled to 100 K with 50% mpd 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	2015-08-25
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	96.546, 96.546, 105.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.887 - 1.600
R-factor	0.141741795682
Rwork	0.141
R-free	0.16607
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.298
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]	20.890
High resolution limit [Å]	1.600	1.600
Number of reflections	125186
<I/σ(I)>	27.6
Completeness [%]	99.8	99.8
Redundancy	13.7
CC(1/2)	1.000	0.752

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