5MJU
Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor TFB-TBOA and the allosteric inhibitor UCPH101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9772 |
| Spacegroup name | P 63 |
| Unit cell lengths | 124.330, 124.330, 90.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 3.710 |
| R-factor | 0.2297 |
| Rwork | 0.227 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5llm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS (BUILT=20160617) |
| Data scaling software | XSCALE (BUILT=20160617) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.310 | 3.810 |
| High resolution limit [Å] | 3.710 | 3.710 |
| Rmerge | 0.140 | 3.700 |
| Number of reflections | 8570 | |
| <I/σ(I)> | 12.1 | 0.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 16.6 | 17.7 |
| CC(1/2) | 0.999 | 0.373 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 32% PEG 400, 100 mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM Barium chloride |
