Table 1.
EcPurE-
NO2-AIR |
EcPurE-
H45N-CAIR |
EcPurE-
H45Q-CAIR |
EcPurE-
H45Q- NO2-AIR |
|
---|---|---|---|---|
PDB ID | 2ATE | 2NSL | 2NSJ | 2NSH |
resolution (Å) | 30-1.8 | 50-2.0 | 50-2.3 | 50-1.8 |
wavelength (Å) | 0.981 | 1.542 | 0.979 | 0.979 |
space group | I422 | I422 | I422 | I422 |
# of reflections | 34010 | 81423 | 53069 | 96435 |
# of unique refl | 13604 | 10623 | 8526 | 14561 |
Redundancy | 2.5 | 7.7(7.5) | 6.2(6.3) | 6.6(5.4) |
completeness(%) | 89.9(69.1) | 98.7(96.4) | 95.3(99.7) | 99.2(100) |
Rsym (%) | 7.2(24.9) | 10(55.5) | 13(26.6) | 9.0(44.9) |
I/σ | 16.0 | 21.8(4.5) | 12.5(4.5) | 17.9(3.7) |
Values for the highest resolution shell are given in parentheses.
Rsym=ΣΣi|Ii - <I> | /Σ<I>, where <I> is the mean intensity of the N reflections with intensities Ii and common indices h,k,l.