Table 2.
Data collection and refinement statistics of the H3K4me3-bound ING1 PHD finger.
| Data Collection | ||||
|---|---|---|---|---|
| Native | ||||
| Space group | P3221, a=b=49.06, c=52.62Å, a=β=90°, γ=120°, one molecule per A.U. | |||
| Resolution (Å) | 2.1 | |||
| Wavelength (Å) | 1.257 | |||
| Redundancy 1 | 9.35 (9.78) | |||
| Completeness (%) | 99.9 (100) 1 | |||
| Rmerge 2 | 0.071 (0.253) | |||
| I/σ(I) | 16.3 (5.4) | |||
| Refinement Statistics (|F|>0) | ||||
| Resolution (Å) | 24.53-2.10 | |||
| Rworking % | 24.01 | |||
| Rfree3% | 26.35 | |||
| Number of protein atoms | 479 | |||
| Number of non-protein atoms | 41 water molecules and 2 zinc ions | |||
| R.m.s.d. from ideal bond length (Å) | 0.006 | |||
| R.m.s.d. from ideal bond angle (o) | 1.091 | |||
| Average B-value for all atoms (Å 2) | 48.257 | |||
| Ramachandran statistics | Most favored 35 residues | Additionally allowed 3 residues | Generously allowed 1 residues | Disallowed 41 residue |
1
Numbers in parenthesis represent values for the highest resolution bin.
2
Rmerge = Σ| Iobs − Iavg | / ΣIavg.
3
Rfree was calculated with 10% of reflections.
4
Residue Glu234 is clearly in a conformation which Phi/Psi values fall into the disallowed region of the Ramachandran plot.