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 |
