Table 1.
Data Collection and Refinement Statistics
| Data collection | |
|---|---|
| Space group | P42212 |
| Wavelength (Å) | 1.00 |
| Unit cell | |
| a, b, c (Å) | 81.14, 81.14, 42.27 |
| α, β, γ (°) | 90, 90, 90 |
| Molecules/ASU | 1 |
| Resolution range (Å) | 50–1.49 (1.52–1.49) |
| Completeness (%)a | 99.69 (98.88) |
| Redundancya | 13.8(13.2) |
| No. of total reflections | 326254 |
| No. of unique reflections | 19085 |
| I/σa | 14.9(2.3) |
| Rsymab (%) | 6.6(55.1) |
| Refinement statistics | |
| Resolution (Å) | 1.50 |
| Rwork/Rfree (%)c | 19.49/20.03 |
| No. of atoms | |
| Protein | 754 |
| Water | 155 |
| B-factors (Å2) | |
| Protein | 23.0 |
| Water | 35.2 |
| r.m.s.d. | |
| Bond length (Å) | 0.006 |
| Bond angle | 1.24 |
| Ramachandran analysis | |
| Most favored (%) | 100 |
| Allowed (%) | 0 |
| Disallowed (%) | 0 |
ASU, asymmetric unit; r.m.s.d., root mean square deviation.
a
Values in parentheses are for the highest resolution shell.
b
Rsym = Σ|I − <I>|/Σ<I>, where I is the observed intensity, and <I> is the average intensity of multiple observations of symmetry-related reflections.
c
R = Σhkl|Fobs| − |Fcalc|/Σhkl|Fobs|. Rfree was calculated from 5% of the reflections excluded from refinement.