5U1L
Crystal structure of the ATP-gated P2X7 ion channel in the closed, apo state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1051 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 169.058, 169.058, 169.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.183 - 3.400 |
| R-factor | 0.2431 |
| Rwork | 0.241 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | A740003 bound P2X7 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.484 |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.800 | 48.800 | 3.670 |
| High resolution limit [Å] | 3.400 | 9.000 | 3.400 |
| Rmerge | 0.099 | 0.032 | 1.392 |
| Rmeas | 0.105 | 0.033 | 1.469 |
| Rpim | 0.033 | 0.011 | 0.462 |
| Total number of observations | 110336 | 5740 | 22741 |
| Number of reflections | 11207 | ||
| <I/σ(I)> | 16.9 | 59.3 | 1.7 |
| Completeness [%] | 99.9 | 99.4 | 99.8 |
| Redundancy | 9.8 | 8.9 | 10 |
| CC(1/2) | 1.000 | 1.000 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100 mM HEPES (pH 7.0), 100 mM NaCl, 4% ethylene glycol, 15% glycerol, 29% PEG-400, 0.1 mg/mL lipid mixture (60% POPE, 20% POPG, and 20% cholesterol). |
