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 |