Extended Data Table 2 |. MT2 Crystallographic data collection and refinement statistics.
| MT2-CC-2-pmta | MT2-CC-H2085.46A-2-pmtb | MT2-CC-N862.50D-2-pmtc | MT2-CC-ramelteond | |||||
|---|---|---|---|---|---|---|---|---|
| Data collection | ||||||||
| Space group | P21 | P21 | P21 | P21 | ||||
| Cell dimensions | ||||||||
| a, b, c (Å) | 69.5, 146.2, 77.3 | 69.2, 146.2, 77.3 | 68.7, 145.8, 77.0 | 69.4, 145.7, 77.2 | ||||
| α, β, γ (°) | 90, 111.7, 90 | 90, 105.2, 90 | 90, 107.4, 90 | 90, 106.2, 90 | ||||
| Resolution (Å) | 21.99–2.80 (2.88–2.80) | 21.99–3.20 (3.34–3.20) | 22.0–3.10 (3.23–3.10) | 22.0–3.30 (3.46–3.30) | ||||
| Rsplit | 0.146 (4.31) | 0.181 (3.26) | 0.189 (4.70) | 0.201 (2.90) | ||||
| I/σI | 3.07 (0.46) | 4.02 (0.39) | 3.87 (0.2) | 3.67 (0.42) | ||||
| CC* | 0.999 (0.52) | 0.997 (0.54) | 0.997 (0.60) | 0.997 (0.54) | ||||
| Completeness (%) | 100 (100) | 100 (100) | 100 (100) | 100 (100) | ||||
| Redundancy | 571.2 (141.3) | 196.6 (39) | 133 (38.2) | 221.1 (84.6) | ||||
| Refinement | ||||||||
| Resolution (Å) | 21.99–2.80 | 21.99–3.20 | 22.0–3.10 | 22.0–3.30 | ||||
| No. reflections | 35,193 | 24,439 | 26,179 | 22,122 | ||||
| Rwork/Rfree | 0.219/0.249 | 0.224/0.250 | 0.234/0.262 | 0.248/0.270 | ||||
| No. atoms | A | B | A | B | A | B | A | B |
| Protein | 3,333 | 2,852 | 3,343 | 2,786 | 3,293 | 2,752 | 3,227 | 2,738 |
| Ligand/Zn+2 | 23/1 | 23/0 | 23/1 | 23/0 | 23/1 | 23/0 | 19/1 | 19/0 |
| Lipid and other | 0 | 11 | 0 | 12 | 0 | 0 | 0 | 0 |
| B-factors (Å2) | ||||||||
| Receptor | 116.4 | 121.0 | 95.0 | 99.6 | 114.2 | 117.2 | 114.1 | 118.2 |
| BRIL | 162.3 | 188.9 | 143.2 | 176.4 | 167.6 | 208.8 | 185.3 | 248.1 |
| Rubredoxin | 114.7 | n/a | 100.3 | n/a | 116.2 | n/a | 118.6 | n/a |
| Ligand/Zn+2 | 101.6/114.7 | 106.1/n/a | 73.3/91.2 | 88.7/n/a | 96.9/112.3 | 102.1/n/a | 94.9/117.7 | 105.6/n/a |
| Lipids and other | n/a | 138.8 | n/a | 111.0 | n/a | n/a | n/a | n/a |
| R.m.s. deviations | ||||||||
| Bond lengths (Å) | 0.009 | 0.010 | 0.009 | 0.009 | ||||
| Bond angles (°) | 0.97 | 1.06 | 0.96 | 0.95 | ||||
Footnote: Number of crystals used for structure determination:
a
31,677,
b
28,130,
c
20,704, and
d
28,834.
Values in parentheses are for highest-resolution shell.