Table 1 Data collection and refinement statistics.
From: Crystal structure of the human thioredoxin reductase–thioredoxin complex
hTrxR1 C497S,U498C complexed with Trx1 C35S,C73S | ||
|---|---|---|
Crystal 1 | Crystal 2 | |
Data collection | ||
Space group | P212121 | P21 |
Cell dimensions | ||
a, b, c (Å) | 97.25, 105.03, 120.73 | 71.3, 121.7, 73.9 |
α, β, γ (°) | 90, 90, 90 | 90, 95.3, 90 |
Resolution (Å) | 25.0–2.2 (2.3–2.2) | 50–2.6 (2.67–2.60) |
Rsym (%) | 8.7 (29.6) | 14.1 (65.9) |
I/σI | 8.3 (3.4) | 8.3 (3.4) |
Completeness (%) | 84.3 (85.3) | 99.9 (99.9) |
Redundancy | 3.3 (3.1) | 7.3 (7.3) |
Refinement | ||
Resolution (Å) | 25.0–2.2 | 50–2.6 |
No. of reflections | 53,469 | 38,626 |
Rwork/Rfree | 0.228/0.277 | 0.235/0.297 |
No. of atoms | ||
Proteins | 9,254 | 9,238 |
Ligand/ion | 142 | 142 |
Water | 425 | 241 |
Mean B-factor (Å2) | 40.4 | 52.7 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.01 | 0.01 |
Bond angles (°) | 1.2 | 1.3 |
