Table 2.
Crystallographic data collection and analysis
| Data collected | ΔN-CofA value(s) |
|---|---|
| Beamline | NSLS X26C |
| Space group | P1 |
| Cell a, b, c (Å) | 29.50, 34.15, 64.23 |
| Cell α, β, γ | 95.7, 97.4, 94.0 |
| Resolution range (Å) | 50–1.26 |
| Wavelength (Å) | 0.82 |
| Completeness (%)a | 96.01/87.56 |
| Wilson B-value (Å2) | 10.9 |
| No. of observed reflections | 263,810 |
| No. of unique reflections | 66,018 |
| Rsym (%)a,b | 6.7/50.1 |
| I/σa | 33.2/3.7 |
| Redundancy | 4.2/3.5 |
| Mosaicity | 0.3 |
| Refinement statistics | |
| Resolution limits (Å) | 25–1.26 |
| Molecules/unit cell | 2 |
| Rcryst (%)c | 16.0 |
| Rfree (%)d | 19.4 |
| Avg B-factor (Å2) | 14.4 |
| No. of protein atoms | 2625 |
| No. of water molecules | 510 |
| RMSD bond angles | 0.009 |
| RMSD bond lengths | 1.336 |
| Ramachandran plot | |
| Most favored (%) | 90.6 |
| Allowed (%) | 9.4 |
a
Overall/last shell (resolution range for last shell is 1.31–1.26).
b
Rsym is the unweighted R value on I between symmetry mates.
c
Rcryst = Σhkl||Fobs(hkl)| − |Fcalc(hkl)||/Σhkl|Fobs(hkl)|.
d
Rfree is the cross validation R factor for 5% of reflections against which the model was not refined.