3T26

Orthorhombic trypsin (bovine) in the presence of sarcosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	298
Detector technology	CCD
Collection date	2011-06-06
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	54.923, 58.553, 67.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.550 - 1.700
R-factor	0.15801
Rwork	0.157
R-free	0.18704
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tpo
RMSD bond length	0.015
RMSD bond angle	1.482
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]	44.300	20.544	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.040	0.522
Number of reflections	24708
<I/σ(I)>	11.8	14.6	1.3
Completeness [%]	99.9	98.3	99.9
Redundancy	5.6	8.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	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 sarcosine, VAPOR DIFFUSION, HANGING DROP, temperature 298K