6ODL
Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 41 |
Unit cell lengths | 52.094, 52.094, 197.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.026 - 2.300 |
R-factor | 0.2294 |
Rwork | 0.224 |
R-free | 0.28270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a5s |
RMSD bond length | 0.003 |
RMSD bond angle | 0.760 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.310 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmeas | 0.125 | 0.482 |
Rpim | 0.052 | 0.233 |
Number of reflections | 22638 | 2296 |
<I/σ(I)> | 12 | 2.75 |
Completeness [%] | 94.2 | 98.2 |
Redundancy | 4.9 | 3.9 |
CC(1/2) | 0.997 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M AMMONIUM SULFATE AND 16-22% PEG 4000 |