Table I.
Data Collection and Refinement Statistics
| Zinc-bound HP0892 | |
|---|---|
| Data collection | |
| Beamline | NW12A beamline of PF, Japan |
| Wavelength (Å) | 1.0000 |
| Space group | P21 |
| Cell dimension (Å) | |
| a = 36.01 | |
| b = 47.03 | |
| c = 52.60 | |
| β = 110.0° | |
| Resolution (Å) | 50–1.8 (1.83–1.80)a |
| Rmerge (%)b | 4.7 (10.7)a |
| I/σ(I) | 48.2 (18.6)a |
| Redundancyc | 3.6 (3.7)a |
| Completeness (%) | 91.0 (98.7)a |
| Unique reflections | 14,014 (741)a |
| Refinement | |
| Rworkd(%) | 18.22 |
| Rfree e(%) | 22.04 |
| No. Atoms | |
| Protein | 1472 |
| Water | 140 |
| B factor(Å2) | |
| Protein | 36.21 |
| Water | 32.47 |
| RMSDf | |
| Bond lengths (Å) | 0.02 |
| Bond angles (°) | 2.25 |
| Molprobity score | 2.52 (22nd percentile) |
| Ramachandran plot (%) | |
| Favorable region | 97.2 |
| Allowed region | 2.8 |
| Disallowed region | 0.0 |
| PDB accession code | 4NRN |
a
Values in parentheses indicate the highest resolution shell.
b
Rmerge = ∑hkl ∑i|Ii(hkl) − <I(hkl)>|/∑hkl ∑i Ii (hkl), where I(hkl) is the intensity of reflection hkl, ∑hkl is the sum over all reflections and ∑i is the sum over i measurements of reflection hkl.
c
Nobs/Nunique.
d
Rwork = ∑hkl||Fobs| − k |Fcalc||/∑hkl|Fobs| was calculated with the reflections used for refinement.
e
Rfree was calculated by same way as Rwork, but with the 5% of the reflections excluded from the refinement.
f
RMSD was calculated with REFMAC.64