Table 2.
Crystal data of Arx1 from C. thermophilum
| Data collection | |
|---|---|
| Space group |
P21212 |
| Unit cell parameters (Å) |
192.0, 193.3, 70.9 |
| (°) |
90, 90, 90 |
| Resolution (Å) |
86.4 – 2.3 (2.42 – 2.3) |
| RMergea |
0.127 (0.53) |
| Unique reflections |
118103 (17031) |
| Completeness (%) |
100 (100) |
| Multiplicity |
5.9 (5.9) |
| <I/σI> |
13.7 (4.0) |
|
Refinement | |
| Number of used reflections |
112170 |
| Resolution limits (Å) |
57.0 -2.3 |
| R factor b (%) |
20.2 |
| Free R factor c (%) |
24.2 |
| Rmsd bond lengths (Å) |
0.016 |
| Rmsd bond angles (°) | 1.535 |
a. Rmerge = ΣhΣj|Ihj - <Ih>|/ΣhΣj, where Ihj is the intensity of the jth observation of the unique reflection h.
b. R factor = Σh||Foh| - |Fch||/Σh|Foh|, where Foh and Fch are the observed and calculated structure factor amplitudes for reflection h.
c. The free R factor is equivalent to the R factor, but is calculated using 5% of reflections excluded from the maximum-likelihood refinement stages.