4NWC
Crystal structure of the GluK3 ligand-binding domain (S1S2) in complex with the agonist (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic acid at 2.01 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 | 2011-09-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 67.810, 67.810, 126.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.931 - 2.012 |
R-factor | 0.1688 |
Rwork | 0.166 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s9e |
RMSD bond length | 0.013 |
RMSD bond angle | 1.058 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.240 | 38.240 | 2.120 |
High resolution limit [Å] | 2.012 | 6.360 | 2.010 |
Rmerge | 0.052 | 0.284 | |
Number of reflections | 20406 | ||
<I/σ(I)> | 5.9 | 10.8 | 2.5 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 6.7 | 5.7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 1.8M sodium/potassium phosphate, co-crystallized with (S)-glutamate, soaked with 10mM (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic acid, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |