6D5N

Hexagonal thermolysin (295) in the presence of 50% xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Agilent SuperNova
Temperature [K]	295
Detector technology	CCD
Collection date	2016-07-19
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	93.803, 93.803, 132.293
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.852 - 2.000
R-factor	0.152653585107
Rwork	0.151
R-free	0.18712
RMSD bond length	0.002
RMSD bond angle	0.536
Data scaling software	SCALA
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.860	2.110
High resolution limit [Å]	2.000	2.000
Rmeas	0.142
Number of reflections	23812
<I/σ(I)>	11.7
Completeness [%]	99.6
Redundancy	5.7
CC(1/2)	0.995	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein: 100 mg/mL in 45% DMSO Well: 2 M AmSO4