6D5P

Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-16
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	93.307, 93.307, 129.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.752 - 3.000
R-factor	0.236745967489
Rwork	0.233
R-free	0.30772
RMSD bond length	0.002
RMSD bond angle	0.459
Data scaling software	SCALA
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.760	3.160
High resolution limit [Å]	3.000	3.000
Rmeas	0.324	0.469
Number of reflections	6950
<I/σ(I)>	5.1	3
Completeness [%]	98.5
Redundancy	7.6
CC(1/2)	0.892	0.922

Crystallization Conditions

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