Table 2.
Parameter | Native | SeMet NrtA | ||
---|---|---|---|---|
Data collection | ||||
Space group | P21 | P21 | ||
Cell dimensions | ||||
a, b, c, Å | 55.96, 53.8, 65.88 | 55.98, 53.76, 65.95 | ||
α, β, γ, ° | 90, 107.7, 90 | 90, 107.7, 90 | ||
Peak | Inflection | Remote | ||
Wavelength | 0.97132 | 0.97899 | 0.97915 | 0.97132 |
Resolution, Å | 50–1.51 | 50–2.01 | 50–2.01 | 50–1.99 |
Rsym | 5.9 (15.0) | 8.4 (10.8) | 9.6 (12.4) | 6.4 (8.3) |
I/σI | 20.3 (6.0) | 28.0 (18.3) | 28.5 (18.4) | 27.1 (18.7) |
Completeness, % | 98.4 (99.4) | 97.4 (91.8) | 97.3 (91.0) | 97.2 (96.6) |
Redundancy | 3.9 (3.7) | 4.0 (3.8) | 4.0 (3.8) | 3.9 (3.8) |
Refinement | ||||
Resolution, Å | 50–1.5 | |||
No. of reflections | 57920 | |||
Rwork/Rfree | 20.12/22.16 | |||
No. of atoms | 3,236 | |||
Protein | 3,017 | |||
Ligand/ion | 4 | |||
Water | 215 | |||
B-factors | ||||
Protein | 15.8 | |||
Ligand/ion | 12.6 | |||
Water | 24.3 | |||
rms deviations | ||||
Bond lengths, Å | 0.0139 | |||
Bond angles, ° | 1.67 |