Table 1.
Data Collection and Refinement Statistics
| hDNPEP·Zn2+·ABH | |
|---|---|
|
PDB accession code |
4DYO |
|
Data collection |
|
| Beamline |
Diamond Light Source, I03 |
| Wavelength (Å) |
0.9763 |
| Spacegroup |
F 432 |
| Resolution rangea (Å) |
56.11 – 2.20 (2.32 – 2.20) |
| Unit cell dimensions |
a = b = c = 224.60 Å; α = β = γ = 90.0° |
| No. unique reflectionsa |
32,192 (4,486) |
| Completenessa (%) |
99.6 (97.5) |
| I/σIa |
10.4 (2.2) |
| Rmergea (%); Rpima (%) |
17.9 (83.3); 5.5 (29.7) |
| Redundancya |
10.8 (8.0) |
| Wilson B factor (Å2) |
28.5 |
|
Refinement |
|
| No. atoms in refinement (P/L/M/O)c |
3585/10/2/358 |
| Rfact (%) |
15.5 |
| Rfree (%) |
19.5 |
| Bf (P/L/M/O)c (Å2) |
26/30/28/28 |
| rms deviation bond lengthb (Å) |
0.015 |
| rms deviation bond angleb (°) |
1.5 |
|
Molprobity |
|
| Ramachandran favoured |
97.1 |
| Ramachandran allowed | 99.8 |
a Values in brackets show the statistics for the highest resolution shells.
b rms, root-mean-square.
c P/L/M/O indicate protein, ligand molecules in the active sites, metal zinc ions and other molecules, respectively.