6B6O

Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-12
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.439, 58.172, 65.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.992 - 2.400
R-factor	0.24529807694
Rwork	0.240
R-free	0.34505
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.928
Data reduction software	CrysalisPro
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.200	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	8437	1244
<I/σ(I)>	3.9
Completeness [%]	98.4	100
Redundancy	3.2
CC(1/2)	0.790	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine Hal, 0.1 M Tris buffer pH 8.0 Protein: 40 mg/mL in water