Table 1. Diffraction data collection and refinement statistics for two crystals used for MBP-Htt36Q3H-EX1 structure determination.
| Crystal | X1 | X2 | ||||
|---|---|---|---|---|---|---|
| Data collection | ||||||
| Wavelength (λ) |
0.98 |
0.98 |
||||
| Space group |
C2 |
C2 |
||||
| Unit Cell parameter (Å, o) | ||||||
| a |
155.052 |
153.182 |
||||
| b |
177.278 |
177.357 |
||||
| c |
78.868 |
78.346 |
||||
| β |
109.025 |
108.674 |
||||
| Resolution limit (Å) |
2.8–40.0/2.8–2.9 |
2.8–40.0/2.8–2.9 |
||||
| Rsym(%) |
11.0/53.2 |
6.6/65.3 |
||||
| I/σI (overall/outer shell) |
27.9/2.1 |
17.2/1.0 |
||||
| Redundancy (overall/outer shell) |
3.6/3.1 |
3.6/2.4 |
||||
| Overall completeness (%) |
99.2 |
99.2 |
||||
| Refinement |
X1-C1 |
X1-C2 |
X2-C1 |
X2-C2 |
||
| B-factor | ||||||
| Overall (Å2) |
54.3 |
55.8 |
56.2 |
56.1 |
||
| Solvent |
46.9 |
47.7 |
27.3 |
30.8 |
||
| No of data |
40324 |
39566 |
||||
| RWork/RFree |
0.23/0.27 |
0.23/0.27 |
0.23/0.27 |
0.23/0.27 |
||
| RMS_D (Å) |
0.006 |
0.006 |
0.005 |
0.005 |
||
| RMS_A (o) |
0.912 |
0.912 |
0.789 |
0.789 |
||
| Ramachandran map | ||||||
| Favored (%) |
97.2 |
97.4 |
97.1 |
96.9 |
||
| Allowed (%) |
2.6 |
2.5 |
2.7 |
2.7 |
||
| Outliner (%) |
0.2 |
0.1 |
0.2 |
0.4 |
||
| PDB accession number | 4FE8 | 4FEB | 4FEC | 4FED | ||