Data set | SeMet derivative | Native |
---|---|---|
PDB accession code | -- | 4L4Q |
Space group | P 43 | C 2 |
Unit cell parameters | Â | Â |
a, b, c [Ã…] | 121.2, 121.2, 247.1 | 134.8, 57.8, 236.4 |
α, β, γ [°] | 90.0, 90.0, 90.0 | 90.0, 104.0, 90.0 |
Monomers per a.u. | 2 | 4 |
Wavelength [Ã…] | 0.9796 | 1.0000 |
Resolution [Å] | 50.0 – 3.8 (3.9 – 3.8)* | 50.0 – 2.0 (2.1 – 2.0)* |
Multiplicity | 6.3 (6.4) | 4.7 (3.7) |
Completeness [%] | 99.9 (100.0) | 99.2 (95.0) |
I/ σ(I) | 9.9 (3.9) | 9.1 (1.9) |
No. of unique reflections | 35,046 (5,077) | 119,397 (16,072) |
R int | 0.144 (0.476) | 0.101 (0.491) |
R p.i.m. | 0.062 (0.203) | 0.051 (0.273) |
R cryst | Â | 0.187 (0.295) |
R free | Â | 0.244 (0.370) |
est. coordinate error [Ã…] | Â | 0.141 |
r.m.s.d. bond lengths [Ã…] | Â | 0.017 |
r.m.s.d. bond angles [°] |  | 1.941 |
average B-factor [Ã… 2 ] | Â | 41.0 |