Table 1.
Data collection and refinement statistics
| Data collection | Native |
|---|---|
| Space group | P212121 |
| Unit cell [a, b, c (Å)] | 79.8, 109.2, 121.1 |
| Wavelength (Å) | 1.0075 |
| Resolution (Å)a | 43.2–2.2 (2.3–2.2) |
| No. reflectionsa | 46 364 (5385) |
| Completeness (%)a | 95.9 (90.5) |
| <I/σ(I)>a | 14.8 (4.2) |
| Rmeasa,b | 8.7 (40.3) |
| Redundancy | 4.1 (4.2) |
| Refinement | |
| Rworka,c | 18.4 (20.1) |
| Rfreea,d | 22.3 (23.1) |
| Overall B factor (Å2) | 31.8 |
| Chain A dEndoG (1998 atoms) (Å2) | 30.9 |
| Chain B dEndoG (2051 atoms) (Å2) | 31.7 |
| Chain C dEndoGI Dom1 (1280 atoms) (Å2) | 30.7 |
| Chain C dEndoGI Dom2 (1089 atoms) (Å2) | 34.9 |
| Magnesium (two atoms) (Å2) | 22.0 |
| Buffer (one molecule) (Å2) | 44.2 |
| Water (328 molecules) (Å2) | 31.3 |
| R.m.s.d.e from ideal geometry, bond length (Å) | 0.010 |
| Bond angles (°) | 1.150 |
aValues in parentheses refer to the highest resolution shell.
bRmeas = Σh [n/(n − 1)]1/2 Σi |Ih − Ih,i| / ΣhΣi Ih,I, where Ih is the mean intensity of symmetry-equivalent reflections and n is the redundancy.
cRwork = Σh |Fo − Fc| / Σ Fo (working set, no σ cut-off applied).
dRfree is the same as Rcryst, but calculated on 5% of the data excluded from refinement.
eR.m.s.d. from target geometries.