4UG2
Thermostabilised HUMAN A2a Receptor with CGS21680 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.253, 105.944, 125.861 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 125.860 - 2.600 |
| R-factor | 0.24016 |
| Rwork | 0.238 |
| R-free | 0.27116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ydo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.025 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.100 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.190 | 1.040 |
| Number of reflections | 24037 | |
| <I/σ(I)> | 9.4 | 2.3 |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 9.7 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M ADA, PH7.0, 21.6% PEG 600, 10% CHS |
