3T28

TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-14
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	53.927, 53.927, 181.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.150 - 2.800
R-factor	0.18469
Rwork	0.182
R-free	0.24788
RMSD bond length	0.013
RMSD bond angle	1.695
Data reduction software	CrysalisPro
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.700	20.148	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.037	0.286
Number of reflections	7217
<I/σ(I)>	20	17	2.6
Completeness [%]	99.7	91.7	100
Redundancy	10	7.3	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	40 mg/mL protein in 50 mM benzamidine, 3.75 M TMAO, 0.2 M AmSO4, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K