7W48
Crystal structure of the gastric proton pump complexed with PF-03716556
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2018-04-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.750, 104.750, 368.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.180 - 3.500 |
| R-factor | 0.2551 |
| Rwork | 0.252 |
| R-free | 0.30650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ylv |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.902 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 3.626 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 30417 | 556 |
| <I/σ(I)> | 5.55 | |
| Completeness [%] | 75.3 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.318 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% glycerol, 0.2 M RbCl, 20% PEG2000MME, 3% tert-BuOH, 5 mM beta-MeSH |
