6R89
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-cysteine
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 | 97.661, 98.544, 114.154 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 2.500 |
R-factor | 0.1901 |
Rwork | 0.188 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r85 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.400 | 49.400 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.272 | 0.058 | 1.613 |
Rmeas | 0.295 | 0.063 | 1.745 |
Rpim | 0.113 | 0.025 | 0.662 |
Number of reflections | 38874 | 939 | 4339 |
<I/σ(I)> | 6 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 6.7 | 5.8 | 6.9 |
CC(1/2) | 0.986 | 0.999 | 0.578 |
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 |