7AWM
Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium 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 | 2016-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 63 |
| Unit cell lengths | 122.882, 122.882, 90.032 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.310 - 3.250 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5llm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS (June 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] | 45.810 | 45.810 | 3.330 |
| High resolution limit [Å] | 3.250 | 14.530 | 3.250 |
| Rmerge | 0.146 | 0.070 | 7.927 |
| Rmeas | 0.152 | 0.074 | 8.264 |
| Rpim | 0.042 | 0.024 | 2.282 |
| Total number of observations | 166319 | 1614 | 11129 |
| Number of reflections | 12293 | 150 | 887 |
| <I/σ(I)> | 8.8 | 34.8 | 0.4 |
| Completeness [%] | 99.8 | 96.5 | 98.1 |
| Redundancy | 13.5 | 10.8 | 12.5 |
| CC(1/2) | 0.998 | 0.998 | 0.175 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 28% PEG400, 100mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM Barium chloride |
