7AWL
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with barium 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) | 0.9786 |
Spacegroup name | P 63 |
Unit cell lengths | 124.940, 124.940, 92.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.000 - 3.700 |
R-factor | 0.24 |
Rwork | 0.237 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lm4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | XDS (Jan 31, 2020 Built=20200417) |
Data scaling software | XSCALE (Jan 31, 2020 Buit=2020417) |
Phasing software | PHASER (2.7.17) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.000 | 22.000 | 3.800 |
High resolution limit [Å] | 3.700 | 16.550 | 3.700 |
Rmerge | 0.125 | 0.068 | 6.785 |
Rmeas | 0.129 | 0.071 | 6.958 |
Total number of observations | 181357 | ||
Number of reflections | 8827 | 104 | 657 |
<I/σ(I)> | 11.76 | 47.11 | 0.55 |
Completeness [%] | 99.9 | 94.5 | 99.8 |
Redundancy | 20.546 | 17.087 | 20.301 |
CC(1/2) | 0.998 | 0.998 | 0.401 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | 32% PEG400, 100 mM Tris pH 8.2, 50 mM Calcium chloride, 50 mM Barium chloride |