Table 1 Data collection and refinement statistics.
From: Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system
| Â | 4P1C | 4P1B |
|---|---|---|
Data collection | ||
 Space group | P212121 | P3221 |
 Cell dimensions | ||
a, b, c (Ã…) | 95.22, 106.35, 213.42 | 128.37, 128.37, 284.46 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 120 |
 Resolution (Å) | 47.69–2.40 (2.43–2.40)* | 42.56–2.05 (2.07–2.05) |
 Rsym | 0.129 (0.76) | 0.118 (0.65) |
 I/σI | 12.4 (2.0) | 6.6 (2.2) |
 Completeness (%) | 95.10 (93.00) | 100 (100) |
 Redundancy | 6.0 (4.5) | 8.4 (7.6) |
Refinement | ||
 Resolution (Å) | 47.69–2.40 | 42.56–2.06 |
 No. of reflections | 81,284/6649 | 188,039/12,518 |
 Rwork/Rfree | 0.153/0.215 | 0.146/0.177 |
 No. of atoms | ||
Protein | 16,137 | 16,269 |
Ligand/ion | 24 | 66 |
Water | 609 | 1,917 |
 B-factors | ||
Protein | 20.17 | 28.87 |
Ligand/ion | 21.36 | 39.71 |
Water | 19.92 | 38.08 |
 R.m.s deviations | ||
Bond lengths (Ã…) | 0.008 | 0.008 |
Bond angles (°) | 1.077 | 0.859 |
