7AWN
Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.814910 |
| Spacegroup name | P 63 |
| Unit cell lengths | 124.236, 124.236, 91.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.850 - 3.920 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5llm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| 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] | 46.340 | 46.340 | 4.020 |
| High resolution limit [Å] | 3.920 | 17.530 | 3.920 |
| Rmerge | 0.118 | 0.047 | 6.268 |
| Rmeas | 0.121 | 0.049 | 6.427 |
| Rpim | 0.027 | 0.012 | 1.410 |
| Total number of observations | 148478 | 1437 | 10326 |
| Number of reflections | 7276 | 87 | 514 |
| <I/σ(I)> | 10.9 | 63.9 | 0.6 |
| Completeness [%] | 99.6 | 95.1 | 95.8 |
| Redundancy | 20.4 | 16.5 | 20.1 |
| CC(1/2) | 1.000 | 1.000 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 30% PEG400, 100 mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM Barium chloride |
