2FXR
human beta tryptase II complexed with activated ketone 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] | 113 |
Detector technology | CCD |
Collection date | 2004-10-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
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 | 0.223 |
Rwork | 0.220 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a0l |
RMSD bond length | 1.400 |
RMSD bond angle | 0.007 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
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 | |
Completeness [%] | 99.9 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2mg/mL protein, 10 mM MES, pH 6.1, 2M NaCl dissolved in 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 |