Table 1. X-ray data collection and crystal refinement statistics.
mesotrypsin-diminazene | |
---|---|
PDB code | 5TP0 |
Data collection | |
Space group | P212121 |
Cell dimensions | |
a, b, c (Å) | 40.92, 64.44, 80.68 |
α, β, γ (°) | 90, 90, 90 |
Resolution (Å) | 50–1.25 (1.27–1.25) |
Rmerge | 0.045 (0.222) |
Rmeas | 0.047 (0.250) |
Rp.i.m | 0.013 (0.112) |
CC1/2 | ND (0.954) |
I/σI | 52.1 (5.1) |
Completeness (%) | 98.4 (82.3) |
Redundancy | 11.1 (4.5) |
Refinement | |
Resolution (Å) | 50–1.25 |
No. reflections | 55799 |
Rwork / Rfree | 11.8 / 13.7 |
No. atoms | |
Protein | 1772 |
Ligand/ion | 42 (1 CA, 4 SO4, 1 DRG) |
Water | 226 |
B-factors | |
Protein | 12 |
Ligand/ion | 18 |
Water | 27 |
Ramachandran statistics | |
Favored (%) | 99 |
Allowed (%) | 1 |
Outliers (%) | 0 |
R.m.s deviations | |
Bond lengths (Å) | 0.0252 |
Bond angles (°) | 2.17 |
Values from highest resolution shell are shown in parentheses.
ND, CC1/2 for full dataset was not reported by HKL-2000.