6R8A
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
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 | 2018-11-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.480, 96.800, 114.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.190 - 3.100 |
| R-factor | 0.245 |
| Rwork | 0.242 |
| R-free | 0.30650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6r85 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.375 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.190 | 49.190 | 3.310 |
| High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
| Rmerge | 0.422 | 0.063 | 2.324 |
| Rmeas | 0.475 | 0.073 | 2.595 |
| Rpim | 0.213 | 0.036 | 1.132 |
| Total number of observations | 83521 | ||
| Number of reflections | 19607 | 912 | 3534 |
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 98.8 | 95.5 | 99.6 |
| Redundancy | 4.3 | 3.8 | 4.4 |
| CC(1/2) | 0.969 | 0.995 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 100 mM HEPES pH 7.5, sodium citrate tribasic 1.4 M |
