6E7R
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 267.953, 59.898, 145.286 |
| Unit cell angles | 90.00, 116.69, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.1902 |
| Rwork | 0.189 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qel |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.375 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.690 | 2.100 |
| Rmerge | 0.048 | 0.018 | 1.039 |
| Rmeas | 0.055 | 0.021 | 1.224 |
| Rpim | 0.027 | 0.010 | 0.632 |
| Total number of observations | 473976 | ||
| Number of reflections | 119094 | 6170 | 5833 |
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 98.8 | 97.9 | 96.8 |
| Redundancy | 4 | 4 | 3.2 |
| CC(1/2) | 0.999 | 0.585 |
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 |
