2FWW

human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	113
Detector technology	CCD
Collection date	2004-06-19
Detector	ADSC QUANTUM 210
Spacegroup name	P 31
Unit cell lengths	77.920, 77.920, 164.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.212
Rwork	0.212
R-free	0.25700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.450
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.081
Number of reflections	52849
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	2mg/mL of protein, 10 mM MES, pH 6.1, 2M NaCl was mixed with crystallization solution 0.1 M NaOAc, pH 4.6, 0.2 M ammonium sulfate, 30% PEG 1500. Crystallization drops were set up using various ratios of protein solution to crystallization solution. Crystals appropriate for diffraction studies appeared in 2-5 days at room temperature, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K