Table 1.
Apo | cGMP bound High-resolution | cGMP-Bound (Iodine SAD) | |
---|---|---|---|
Data collection | |||
Wavelength (Å) | 0.97931 | 0.97931 | 1.54178 |
Space group | P3121 | P41212 | P41212 |
Cell dimensions | |||
a,b,c (Å) | 78.8,78.8,147.6 | 47.2, 47.2,101.9 | 47.9,47.9,104.1 |
α,β,γ (°) | 90,90,120 | 90,90,90 | 90,90,90 |
Resolution (Å) | 36.9-2.00 | 23.8-1.65 | 15.0-1.80 |
Rsym or Rmerge | 11.4(45.1)* | 7.7(47.1) | 6.0(21.4) |
I/σI | 10.2(3.4) | 20.1(5.5) | 32.2/(2.1) |
Completeness (%) | 99.4(96.4) | 99.6(100) | 91.2(35.7) |
Redundancy | 4.8(4.4) | 13.5(13.8) | 7.2(5.9) |
Refinement | |||
Resolution (Å) | 36.9 – 2.00 | 23.8 – 1.65 | 15.0 – 1.80 |
No. reflections | 36516 | 14492 | 19090 |
Rwork/Rfree† | 18.82/22.69 | 19.74/24.47 | 18.9/24.4 |
No. atoms | |||
Proteins | 2934 | 985 | 985 |
Ligand/ion | 14 | 46 | 45 |
Water | 343 | 68 | 56 |
B-factors | |||
Protein | 46.424 | 28.464 | 37.069 |
Ligand/ion | 83.734 | 32.253 | 49.169 |
Water | 45.140 | 38.431 | 37.139 |
R.m.s. deviations | |||
Bond lengths (Å) | 0.006 | 0.006 | 0.007 |
Bond angles (°) | 0.980 | 1.093 | 1.149 |
Highest resolution shell is shown in parenthesis.
5.0% of the observed intensities was excluded from refinement for cross validation purposes.