7AWP
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 63 |
| Unit cell lengths | 124.375, 124.375, 91.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.000 - 3.910 |
| R-factor | 0.248 |
| Rwork | 0.246 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lm4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS (Jan 31, 2020 Built=20200417) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.410 | 46.410 | 4.010 |
| High resolution limit [Å] | 3.910 | 17.470 | 3.910 |
| Rmerge | 0.126 | 0.033 | 9.767 |
| Rmeas | 0.130 | 0.034 | 10.128 |
| Rpim | 0.032 | 0.010 | 2.601 |
| Total number of observations | 123824 | 1148 | 8035 |
| Number of reflections | 7403 | 88 | 549 |
| <I/σ(I)> | 9 | 58.4 | 0.3 |
| Completeness [%] | 99.8 | 95.1 | 99.1 |
| Redundancy | 16.7 | 13 | 14.6 |
| CC(1/2) | 1.000 | 1.000 | 0.148 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 28% PEG400, 100 mM Tris pH8.2, 50 mM Calcium chloride, 50 mM Barium chloride |
