From: Crystal structure of vaccinia virus uracil-DNA glycosylase reveals dimeric assembly
PDB ID | Trigonal (Native I)2OWQ | Orthorhombic (Native II)2OWR |
---|---|---|
Resolution [Å] | 19.27–2.40 (2.46–2.40) | 20.00–2.30 (2.36–2.30) |
No. of Reflections | 21956 (1699) | 93107 (7120) |
Completeness [%] | 98.4 (99.7) | 99.9 (99.9) |
Rall [%] | 24.4 | 25.5 |
Rwork [%] | 24.1 (29.5) | 25.3 (28.3) |
Rfree [%] | 29.9 (35.5) | 30.2 (38.0) |
No. of Atoms | ||
Overall | 3725 | 14550 |
Protein | 3534 | 13838 |
Ligands IMD, GOL, EPE | 15, 24, NA | NA, 108, 30 |
Ions Cl-, SO42- | 1, 5 | 1, NA |
Water | 146 | 573 |
Wilson B-factor [Å 2] | 35.0 | 26.0 |
Average B-factors [Å 2] | ||
Overall | 27.5 | 20.9 |
Protein | 27.6 | 20.6 |
Ligands IMD, GOL, EPE | 37.0, 33.0, NA | NA, 30.6, 62.7 |
Ions Cl-, SO42- | 43.7, 55.5 | 30.7, NA |
Water | 24.0 | 23.8 |
R.m.s. Deviations | ||
Bonds [Å] | 0.01 | 0.01 |
Angles [°] | 1.13 | 1.33 |
Coordinate error ESU (max. likelihood) | 0.26 | 0.21 |
Correlation Coefficient | ||
FOFC | 0.92 | 0.90 |
FOFC free | 0.88 | 0.86 |