6B6S

Orthorhombic trypsin cryocooled to 100 K with 50% ethanol 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	2016-04-19
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.306, 58.052, 66.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.220 - 2.000
R-factor	0.124020774562
Rwork	0.121
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	CrysalisPro (1.10.1_2155)
Data scaling software	SCALA
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.700	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	14509	2035
<I/σ(I)>	18.3	9.8
Completeness [%]	99.0
Redundancy	2.9
CC(1/2)	1.000	0.990

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