4NWD
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9974 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 68.650, 68.650, 126.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.546 - 2.600 |
R-factor | 0.2082 |
Rwork | 0.205 |
R-free | 0.26450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s9e |
RMSD bond length | 0.011 |
RMSD bond angle | 1.494 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.546 | 38.546 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.033 | 0.382 | |
Total number of observations | 2128 | 10050 | |
Number of reflections | 9923 | ||
<I/σ(I)> | 6.8 | 18.1 | 1.8 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 6.9 | 5.6 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 1.8 M NaH2PO4/K2HPO4, co-crystallized with (S)-glutamate, soaked with (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |