5UUB

Tetragonal thermolysin cryocooled to 100 K with 25% xylose/25% 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	2015-08-26
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	96.707, 96.707, 105.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.897 - 1.600
R-factor	0.147312430611
Rwork	0.147
R-free	0.16505
RMSD bond length	0.008
RMSD bond angle	0.993
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]	20.900
High resolution limit [Å]	1.600	1.600
Number of reflections	126191
<I/σ(I)>	24.5
Completeness [%]	99.9	99.8
Redundancy	9.4	6
CC(1/2)	0.999	0.688

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