Table 1.
Data collection and refinement statistics (molecular replacement).
| GluN1/GluN2A-4m LBD +Gly, Glu |
GluN1/GluN2A LBD +Gly, UBP791 |
GluN1/GluN2A-4m LBD +Gly, UBP791 |
|
|---|---|---|---|
| Data collection | |||
| Space group | P212121 | P212121 | P212121 |
| Cell dimensions | |||
| a, b, c (Å) | 54.64, 90.06, 125.15 | 59.37, 85.75, 119.87 | 58.99, 85.08, 120.41 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) |
73.10–1.66 (1.69–1.66) |
69.74–2.52 (2.56–2.52) Staraniso: 69.74–2.13 (2.32–2.13) |
49.15–2.41 (2.49–2.41) |
| Rmerge | 0.073 (0.515) |
0.104 (0.903) Staraniso: 0.117 (1.318) |
0.156 (0.668) |
| I/σI | 14.3 (2.2) |
12.7 (2.3) Staraniso: 10.5 (1.5) |
11.60 (1.89) |
| Completeness (%) | 96.40 (74.9) |
99.9 (100.0) Star spherical/ ellipsoidal: 78/94.3 (19.7/61.3) |
98.03 (84.68) |
| Redundancy | 6.3 (3.9) |
6.6 (6.8) Star: 6.6 (6.6) |
5.8 (4.6) |
| Refinement | (staraniso file) | ||
| Resolution (Å) | 50.07–1.66 | 69.74–2.13 | 49.15–2.41 |
| No. reflections | 71,406 (5,481) | 26,485 (178) | 23,716 (1,995) |
| Rwork/Rfree | 0.1794/0.2118 | 0.2075/0.2531 | 0.1914/0.2453 |
| No. atoms | |||
| Protein | 4,553 | 4,442 | 4,547 |
| Ligands | 15 | 38 | 38 |
| Water | 607 | 66 | 115 |
| B-factors (Å2) | |||
| Protein | 30.51 | 55.39 | 40.89 |
| Ligands | 16.00 | 53.10 | 35.08 |
| Water | 40.08 | 53.50 | 38.24 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.009 | 0.002 | 0.002 |
| Bond angles (°) | 0.997 | 0.49 | 0.48 |
Datasets for all of the three structures above were collected from single crystals. Values in parentheses are for highest-resolution shell