Table 1.
Data Collection and Refinement Statistics
| MBP-RAMP1-CLR:CGRP(27-37)NH2 [D31, P34, F35] | MBP-RAMP2-CLR:AM(25-52)NH2 | |
|---|---|---|
| Data collection | ||
| Space group | C2 | P212121 |
| Cell dimensions | ||
| a, b, c | 172.81 Å, 104.62 Å, 136.48 Å | 71.45 Å, 84.28 Å, 115.76 Å |
| α, β, γ | 90°, 122.43°, 90° | 90°, 90°, 90° |
| Resolution | 50.0–2.45 Å (2.49–2.45 Å)a | 50.0–1.76 Å (1.79–1.76 Å) |
| Rmerge | 0.058 (0.647) | 0.068 (0.966) |
| CC1/2 | (0.858) | (0.525) |
| I / σI | 24.30 (1.76) | 30.13 (1.05) |
| Completeness | 99.8% (98.6%) | 99.9% (98.2%) |
| Redundancy | 4.2 (3.9) | 7.2 (5.0) |
| Refinement | ||
| Resolution (Å) | 50.0-2.45 Å | 50.0-1.76 Å |
| No. reflections | 72,185 | 66,505 |
| Rwork / Rfree | 0.200/0.243 | 0.157/0.200 |
| Protein molecules/ASU | 3 | 1 |
| No. atoms (Mol 1/2/3) | ||
| MBP | 2,885/2,865/2,859 | 2,898 |
| RAMP1 or RAMP2 | 705/657/705 | 721 |
| CLR | 805/981/744 | 805 |
| CGRP or AM | 86/86/75 | 148 |
| Water | 70 | 394 |
| B-factors (Mol 1/2/3) | ||
| MBP | 71.62/94.58/96.57 | 37.14 |
| RAMP1 or RAMP2 | 72.26/101.20/96.41 | 30.93 |
| CLR | 61.60/67.61/88.84 | 35.75 |
| CGRP or AM | 72.24/101.71/81.79 | 44.55 |
| Water | 52.85 | 39.32 |
| RMS deviations | ||
| Bond lengths | 0.013 Å | 0.020 Å |
| Bond angles | 1.516° | 1.929° |
| Ramachandran Analysisb | ||
| Preferred regions | 95.72% | 96.8% |
| Allowed regions | 4.04% | 3.2% |
| Outliers | 0.24% | 0% |
a
Values in parentheses are for highest-resolution shell.
b
As defined in COOT.