5F1C
Crystal structure of an invertebrate P2X receptor from the Gulf Coast tick in the presence of ATP and Zn2+ ion at 2.9 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.458, 139.900, 202.015 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.068 - 2.900 |
| R-factor | 0.256 |
| Rwork | 0.255 |
| R-free | 0.28880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ATP-bound zfP2X4-C structure (PDB: 4DW1) |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.693 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.177 | 0.049 | 0.845 |
| Rmeas | 0.193 | 0.052 | 0.941 |
| Rpim | 0.075 | 0.019 | 0.406 |
| Total number of observations | 329968 | ||
| Number of reflections | 52512 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.6 | 96 | 99.6 |
| Redundancy | 6.3 | 7 | 5 |
| CC(1/2) | 0.998 | 0.062 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PEG 8000, zinc acetate, MES |
