6DZF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-08
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.122, 56.841, 65.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.450 - 2.200
R-factor	0.3104
Rwork	0.306
R-free	0.38860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6q
RMSD bond length	0.002
RMSD bond angle	0.521
Data scaling software	SCALA
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.500	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	10574
<I/σ(I)>	3.3	1.1
Completeness [%]	98.8
Redundancy	3.5
CC(1/2)	0.610	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	Well: 25% PEG 8K, 0.2 M AmSO4, 0.1 M benzamidine HCl, 0.1 M Tris buffer pH 8.0