2GDD

Human beta II tryptase with inhibitor CRA-27592

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 31
Unit cell lengths	78.015, 78.015, 163.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.700 - 2.350
R-factor	0.219
Rwork	0.215
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.138	0.757
Number of reflections	46451	2309
<I/σ(I)>	6.6
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	Tryptase was purchased from Promega (catalog #G563X). The protein was formulated as a 2 mg/mL solution in 10 mM MES (pH 6.1) and 2M NaCl, and was crystallized from a solution of 0.1 M NaoAc (pH 4.6), 0.2 M ammonium sulfate and 30% PEG 1500 (all reagents obtained from Hampton Research). Crystallization drops were set up at various ratios of protein solution to crystallization solution. Crystals appeared in 2-5 days at room temperature., VAPOR DIFFUSION, temperature 293.0K