7CPD
Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-06 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9875 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.782, 156.552, 182.591 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.886 - 2.506 |
| R-factor | 0.1859 |
| Rwork | 0.183 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o2b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| 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] | 49.890 | 2.596 |
| High resolution limit [Å] | 2.506 | 2.506 |
| Rmerge | 0.089 | |
| Number of reflections | 102800 | 8435 |
| <I/σ(I)> | 26.4 | |
| Completeness [%] | 99.4 | |
| Redundancy | 13 | |
| CC(1/2) | 0.995 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 289 | 6-10% PEG 4k, 4-10% glycerol, 30 mM MgCl2, 100 mM MES/Imidazole pH 6.5-6.9 |
