6AVL

Orthorhombic Trypsin (295 K) in the presence of 50% xylose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	295
Detector technology	CCD
Collection date	2017-06-01
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.870, 58.756, 67.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.468 - 2.000
R-factor	0.1526
Rwork	0.150
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.871
Data reduction software	CrysalisPro
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.790	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	15148
<I/σ(I)>	5.4
Completeness [%]	99.2
Redundancy	3.7
CC(1/2)	0.980	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.1 M Tris buffer 0.2 M AmSO4 25% (w/v) PEG 8000 0.1 M benzamidine-HCl Protein 40 mg/mL in water