TABLE 1.
Parameter | Value for: |
||||||
---|---|---|---|---|---|---|---|
PRWT–p1-p6WTa | PRD30N/N88D–p1-p6WT | PRWT–p1-p6L449F | PRWT–p1-p6S451N | PRD30N/N88D–p1-p6S451N | PRWT–p1-p6L449F/S451N | PRD30N/N88D–p1-p6L449F/S451N | |
PDB code | 1KJF | 4OBG | 4OBH | 4OBJ | 4OBF | 4OBK | 4OBD |
Data collection | |||||||
Space group | P212121 | P21 | P21 | P212121 | P21 | P212121 | P21 |
a (Å) | 51.29 | 51.67 | 51.14 | 51.19 | 51.55 | 50.94 | 51.47 |
b (Å) | 59.07 | 60.11 | 62.79 | 58.3 | 60.07 | 58.41 | 59.54 |
c (Å) | 61.81 | 60.2 | 61.46 | 61.36 | 60.23 | 61.46 | 59.36 |
b angle | 90 | 99.09 | 98.03 | 90 | 99.25 | 90 | 98.6 |
Z | 4 | 8 | 8 | 4 | 8 | 4 | 8 |
Temp (°C) | −80 | −80 | −80 | −80 | −80 | −80 | −80 |
Resolution (Å) | 2 | 1.78 | 1.85 | 1.75 | 1.68 | 1.65 | 1.9 |
Total no. of reflections | 41,786 | 133,292 | 113,050 | 109,140 | 167,489 | 155,872 | 126,355 |
No. of unique Reflections | 12,376 | 34,288 | 28,931 | 14,456 | 41,265 | 22,296 | 32,879 |
Rmerge (%) | 6.7 | 6.8 | 7.3 | 4.5 | 6.6 | 8.7 | 6.4 |
Completeness (%) | 93.4 | 99.2 | 99.7 | 96 | 99.8 | 98.1 | 98.8 |
Crystallographic refinement | |||||||
R (%) | 20.3 | 20.04 | 16.08 | 14.35 | 17.97 | 18.00 | 20.01 |
Rfree (%) | 25.1 | 25.46 | 20.88 | 18.29 | 22.89 | 21.08 | 24.44 |
RMSDb | |||||||
Bond length (Å) | 0.006 | 0.009 | 0.007 | 0.009 | 0.009 | 0.009 | 0.009 |
Bond angle | 1.3 | 1.404 | 1.554 | 1.551 | 1.46 | 1.589 | 1.441 |
From reference 8.
RMSD, root mean square deviation