|
Data collection and refinement statistics. |
||
| tmRBP-apo |
tmRBP-ribose |
|
|
|
||
| Data Collection |
||
| Wavelength (Å) |
0.997 |
0.979 |
| Resolution (Å) |
1.40 |
2.15 |
| Unique reflections |
115460 |
25783 |
| Mean I/σ(I)a |
34.2 (1.7) |
25.7 (3.6) |
| Completeness (%)a |
99.0 (88.8) |
80.9 (21.0) |
| Rsym (%)a |
5.0 (51.5) |
5.6 (28.4) |
| Redundancya |
5.8 (3.4) |
5.8 (1.6) |
| Refinement |
||
| Resolution (Å) |
50.0–1.40 |
50.0–2.15 |
| Num. of Reflections (working set/test set) |
115460/5767 |
23715/1354 |
| Rcryst (%) |
18.0 (28.0) |
19.3 (25.4) |
| Rfree b (%) |
20.3 (32.9) |
22.3 (29.2) |
| Number of atoms |
||
| Protein |
4326 |
2286 |
| Water |
627 |
142 |
| Ligand |
0 |
10 |
| r.m.s.d. |
||
| Bond lengths (Å) |
0.009 |
0.012 |
| Bond angles (°) |
1.2 |
1.2 |
| Average B-factor (Å2) |
||
| Main Chain |
15.3 |
34.5 |
| Side Chain |
17.3 |
35.8 |
| Solvent |
29 |
37.7 |
| Ligand |
24.8 |
|
| Protein Geometry |
||
| Ramachandran outliers (%) |
0.4 |
0.3 |
| Ramachandran favored (%) |
98.7 |
97.6 |
| Rotamer outliers (%) |
2.2 |
3.0 |
|
aNumber in parentheses represent values in the highest resolution shell. bRfree is the R-factor based on 5% of the data excluded from refinement. | ||
Cuneo et al. BMC Structural Biology 2008 8:50 doi:10.1186/1472-6807-8-50 |
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