3T27

Orthorhombic trypsin (bovine) in the presence of betaine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	298
Detector technology	CCD
Collection date	2011-06-10
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	55.104, 58.174, 68.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.620 - 1.950
R-factor	0.14909
Rwork	0.147
R-free	0.19081
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tpo
RMSD bond length	0.019
RMSD bond angle	1.663
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.500	20.616	2.060
High resolution limit [Å]	1.950	6.170	1.950
Rmerge		0.031	0.519
Number of reflections	16718
<I/σ(I)>	16.2	21.4	1.3
Completeness [%]	99.8	97.2	99.3
Redundancy	5.8	6.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	40 mg/mL protein in water, 25% (w/v) P8K, 0.2 M AmSO4, 0.1 M benzamidine, 0.1 M Tris, pH 8.0, Soaked in 4 M betaine, VAPOR DIFFUSION, temperature 298K