9FUP
Serial microseconds crystallography at ID29 using fixed-target (small foils): A2a adenosine receptor co-crystallised with Istradefylline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-09-13 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 1.072 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 40.170, 179.400, 142.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.770 - 2.500 |
| R-factor | 0.2548 |
| Rwork | 0.251 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.468 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.700 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 18404 | 796 |
| <I/σ(I)> | 4.33 | |
| Completeness [%] | 100.0 | |
| Redundancy | 208 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5 | 293 | 0.1 M tri-sodium citrate pH 5.0, 50 mM sodium thiocyanate, 29-30% (v/v) PEG 400, 1% (v/v) 1,6-hexanediol |
