2FS8

Human beta-tryptase II with inhibitor CRA-29382

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	2004-10-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 31
Unit cell lengths	78.202, 78.202, 165.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.780 - 2.500
R-factor	0.21
Rwork	0.205
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.2)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.780	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.101	0.557
Number of reflections	39151	1927
Completeness [%]	99.9	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2mg/mL protein in 10mM MES, pH 6.1, 2M NaCl mixed in reservoir solution containing 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