6B6P

Orthorhombic trypsin cryocooled to 100 K with 30% 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	2016-04-13
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.646, 58.315, 66.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.381 - 2.000
R-factor	0.124277998421
Rwork	0.122
R-free	0.17094
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	CrysalisPro
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.800	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	14610	2092
<I/σ(I)>	28.4	16.1
Completeness [%]	98.4
Redundancy	3.3
CC(1/2)	1.000	1.000

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