7U8V
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 | 2019-03-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.276, 68.744, 182.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.331 - 1.448 |
| R-factor | 0.1814 |
| Rwork | 0.181 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hph |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.837 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.448 | 1.448 |
| Rmerge | 0.065 | 0.561 |
| Number of reflections | 95177 | 9055 |
| <I/σ(I)> | 31.84 | 2.379 |
| Completeness [%] | 99.4 | 96 |
| Redundancy | 6.3 | 5.3 |
| CC(1/2) | 0.996 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M Sodium malonate PH6.0, 12%PEG3350 |
