6HCA
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 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 | 2018-06-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.010, 91.392, 98.601 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.577 - 1.882 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fto |
RMSD bond length | 0.007 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.580 | 29.577 | 1.980 |
High resolution limit [Å] | 1.882 | 5.950 | 1.880 |
Rmerge | 0.036 | 0.718 | |
Rmeas | 0.116 | 0.039 | 0.771 |
Rpim | 0.042 | 0.014 | 0.278 |
Total number of observations | 343924 | 11354 | 48496 |
Number of reflections | 46079 | 1616 | 6528 |
<I/σ(I)> | 10.7 | 26.1 | 2.4 |
Completeness [%] | 99.7 | 99.3 | 98.4 |
Redundancy | 7.5 | 7 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 24% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate citrate |