7EMJ
Crystal structure of T2R-TTL-Barbigerone complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978520 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.030, 157.252, 180.606 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.900 - 2.330 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nkz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.218 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.350 |
| Number of reflections | 126418 | 6262 |
| <I/σ(I)> | 24 | |
| Completeness [%] | 99.2 | |
| Redundancy | 11.5 | |
| CC(1/2) | 0.993 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% PEG 4000, 5% glycerol, 0.1 M MES, 30 mM CaCl2 and 30 mM MgCl2, pH 6.7 |
