6R88
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.972, 98.239, 114.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.270 - 1.600 |
R-factor | 0.1529 |
Rwork | 0.151 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r85 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.813 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.380 | 49.380 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.078 | 0.038 | 0.844 |
Rmeas | 0.085 | 0.042 | 0.947 |
Rpim | 0.033 | 0.017 | 0.423 |
Number of reflections | 144028 | 998 | 7055 |
<I/σ(I)> | 12.9 | ||
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 6.5 | 5.8 | 4.9 |
CC(1/2) | 0.999 | 0.998 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 100 mM sodium citrate tribasic pH 5.6, 2 M ammonium sulfate, 200 mM potassium sodium tartrate |