3V7T
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 41 |
Unit cell lengths | 81.719, 81.719, 170.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.540 - 2.090 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.960 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT (BUSTER 2.9.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.160 |
High resolution limit [Å] | 2.090 | 4.500 | 2.090 |
Rmerge | 0.098 | 0.044 | 0.597 |
Number of reflections | 66068 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.7 | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 5 | 291 | NaAC 0.1M, NaCl 2M, glycerol 10%, PEG3350 20%, hanging drop, temperature 291K |