5A8E
thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | PILATUS |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 53.019, 61.777, 95.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.790 - 2.400 |
| R-factor | 0.21835 |
| Rwork | 0.217 |
| R-free | 0.24790 |
| Structure solution method | MIR |
| Starting model (for MR) | 4bvn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.290 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.160 | 0.700 |
| Number of reflections | 12526 | |
| <I/σ(I)> | 8.2 | 1.9 |
| Completeness [%] | 98.4 | 98.3 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 7 | 293 | 25% PEG600, 0.1M ADA PH7.0, LIPIDIC CUBIC PHASE (LCP), TEMPERATURE 293K |
| 1 | LIPIDIC CUBIC PHASE | 7 | 293 | 25% PEG600, 0.1M ADA PH7.0, LIPIDIC CUBIC PHASE (LCP), TEMPERATURE 293K |
