Table 1.
Data collection | Native | SeMet (two crystals) |
---|---|---|
Space group | P43212 | P43212 |
Cell dimensions | ||
a, b, c (Å) | 98.1, 98.1, 201.8 | 97.9, 97.9, 201.3 |
α, β, γ(°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 30-3.04 (3.09-3.04)* | 50-3.4 (3.46-3.40) |
Rmerge | 9.9 (96.4) | 16.0 (53.9) |
I/σI | 26.8 (2.7) | 16.5 (1.6) |
Completeness (%) | 100 (100) | 94.5 (65.9) |
Redundancy | 13.0 (13.3) | 13.4 (6.5) |
Refinement | ||
Resolution (Å) | 3.04 | |
Number of reflections | 19172 | |
Rwork/Rfree | 22.4/28.0 | |
Number of atoms | 4071 | |
Protein | 3413 | |
Ligand/ion | 621 | |
Water | 37 | |
B-factors (Å2) | 75.3 | |
Protein | 69.3 | |
Ligand/ion | 109.6 | |
Water | 52.4 | |
R.m.s. deviations | ||
Bond lengths (Å) | 0.011 | |
Bond angles (°) | 1.01 |
*Values in parentheses are for the highest-resolution shell.