7U8X
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 | 2018-08-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.758, 68.863, 183.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.772 - 1.600 |
| R-factor | 0.1901 |
| Rwork | 0.189 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hph |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.897 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.101 | 0.908 |
| Number of reflections | 70222 | 6727 |
| <I/σ(I)> | 24.028 | 1.622 |
| Completeness [%] | 99.3 | |
| Redundancy | 5.8 | 4.9 |
| CC(1/2) | 0.879 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1% w/v tryptone, 0.05M HepesNa PH7.0, 12%PEG3350 |
