4UHR
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 |
| Collection date | 2011-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.407, 59.187, 65.058 |
| Unit cell angles | 90.00, 92.83, 90.00 |
Refinement procedure
| Resolution | 64.980 - 2.600 |
| R-factor | 0.26114 |
| Rwork | 0.259 |
| R-free | 0.31160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ydo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.023 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.340 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 13563 | |
| <I/σ(I)> | 7.4 | 1.9 |
| Completeness [%] | 95.1 | 97 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.05 M ACETATE-HCL (PH4.8), 6% SUCROSE, 21.9% PENTHAETHYLENE GLYCOL |
