TABLE 1.
Summary of data collection and refinement statistics of ALO
| H6-ALO | |
|---|---|
| Data collection | |
| Beamline | APS 14BM-C |
| Wavelength (Å) | 0.90020 |
| Space group | C2221 |
| Cell dimensions (Å) | |
| a | 141.74 |
| b | 141.75 |
| c | 294.1 |
| Resolution (Å) | 50.0-3.1 |
| Rmerge (%)a,b | 6.3 (41.6) |
| I/σb | 30 (5.6) |
| Redunancyb,c | 7.0 (7.4) |
| Completeness (%)b | 99.0 (100.0) |
| Unique reflections | 53,120 |
| Refinement statistics | |
| Rwork (%)d | 26.9 |
| Rfree (%)e | 29.3 |
| No. of atoms | |
| Protein | 7,101 |
| Water | 27 |
| Average B-factors (Å2) | |
| Protein | 76 |
| Water | 65 |
| Rmsdf | |
| Bond lengths (Å) | 0.014 |
| Bond angles (degrees) | 1.64 |
| Ramachandran plot (%)g | |
| Favorable region | 73.8 |
| Allowed region | 23.1 |
| Generously allowed region | 2.6 |
| Disallowed region | 0.5 |
| Protein Data Bank accession code | 3CQF |
a
Rmerge = ∑ (I - <I>)/∑ <I>.
b
Values in parentheses indicate the highest resolution shell.
c
Nobs/Nunique.
d
Rwork = ∑hkl∥Fo| - k|Fc∥/∑hkl| Fo|.
e
Rfree is the Rwork value for 5% of the reflections excluded from the refinement.
f
Root mean square deviations calculated with REFMAC (37).
g
Values are from PROCHECK (71).