6FAZ
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.206, 121.458, 47.164 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.164 - 1.400 |
R-factor | 0.1379 |
Rwork | 0.136 |
R-free | 0.16750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n07 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.983 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.603 | 48.603 | 1.480 |
High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
Rmerge | 0.033 | 0.643 | |
Rmeas | 0.057 | 0.034 | 0.668 |
Rpim | 0.015 | 0.010 | 0.181 |
Total number of observations | 1470878 | 47936 | 213713 |
Number of reflections | 110666 | 3763 | 15969 |
<I/σ(I)> | 19.6 | 52.5 | 3.8 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 13.3 | 12.7 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 280 | 15% PEG4000, 0.3 M ammonium sulfate, 0.1 M phosphate-citrate |