6E7S
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.91979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 268.430, 60.633, 145.391 |
| Unit cell angles | 90.00, 116.42, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.720 |
| R-factor | 0.1909 |
| Rwork | 0.189 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qel |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.379 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.880 | 29.880 | 2.790 |
| High resolution limit [Å] | 2.720 | 12.160 | 2.720 |
| Rmerge | 0.065 | 0.020 | 0.958 |
| Rmeas | 0.077 | 0.024 | 1.152 |
| Rpim | 0.041 | 0.012 | 0.632 |
| Total number of observations | 2181 | 12596 | |
| Number of reflections | 56030 | 633 | 3959 |
| <I/σ(I)> | 14.4 | 50.7 | 1.4 |
| Completeness [%] | 98.6 | 92 | 93.9 |
| Redundancy | 3.5 | 3.4 | 3.2 |
| CC(1/2) | 0.999 | 0.999 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 3.0-3.5 M sodium formate, 0.1 M HEPES, 35 mM sodium chloride, 7 mM Tris-HCl, 50 uM Ifenprodil |
