7U8U
hTRAP1 with inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.368, 118.587, 69.393 |
| Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
| Resolution | 48.324 - 3.065 |
| R-factor | 0.2294 |
| Rwork | 0.220 |
| R-free | 0.31150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hph |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.542 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.060 | 3.060 |
| Rmerge | 0.238 | 1.569 |
| Number of reflections | 19398 | 1910 |
| <I/σ(I)> | 11.211 | 1.111 |
| Completeness [%] | 98.6 | 96 |
| Redundancy | 6 | 4.6 |
| CC(1/2) | 0.963 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Hepes PH7.0, 15%PEG20K |
