Table 3.
Data Collection and Refinement Statistics for NmEstD
| Data collection and processing | |
|---|---|
| X-ray source | MX-2 Australian Synchrotron |
| Wavelength (Å) | 0.954 |
| Space group | P6122 |
| Cell dimensions [a, b, c (Å)] | 111.3, 111.3, 169.9 |
| Resolution range (Å)a | 19.84–1.30 (1.30–1.37) |
| Rmerge (%)a | 6.7 (80.8) |
| <I/σI>a | 10.0 (1.0) |
| Completeness (%)a | 99.3 (97.0) |
| Multiplicitya | 5.2 (5.0) |
| Number of total reflectionsa | 783,482 (106,886) |
| Number of unique reflectionsa | 150,461 (21,149) |
| Refinement | |
|---|---|
| Space group | P6522 |
| Resolution range (Å2)a | 19.84–1.40 (1.42–1.40) |
| Rwork/Rfree (%)b | 14.34/15.39 |
| Average B-factor protein/solvent (Å2) | 20.16/31.46 |
| r.m.s. deviation bonds (lengths/angles) | 0.011 Å/1.22° |
| Ramachandran (%) favored/allowed | 96.8/100.0 |
a
Numbers in parentheses refer to the statistics for the highest resolution shell.
b
R=Σhkl(||Fobshkl|-|Fcalchkl||)/|Fobshkl|, where |Fobshkl| and |Fcalchkl| represent the observed and calculated structure factor amplitudes, respectively.