Table 1

Summary of crystallographic analysis. Dashes indicate entries that are meaningless for native data sets alone.

CrystalResolution limit (Å)Reflections (measured/unique)CompletenessRsym§(highest bin)Phasing double bar power|Rcullisacentric
Complex*
Native 1.9123,446/15,44290.611.2 (8.8)
S55C I (HgCl2)2.629,484/4,57067.24.4 (8.5)2.60.64
S55C II (HgCl2)2.047,260/11,72181.15.8 (13.4)1.80.76
A60C (MeHgCl)2.720,425/5,49790.018.2 (68.4)1.40.86
nNOS
Native 1.25131,703/33,07898.93.8 (29.0)
S55C (HgCl2)2.230,112/5,67388.47.5 (23.3)2.40.64
A60C (MeHgCl)1.748,045/12,81195.53.9 (16.8)1.80.75
Resolution (Å)No. of reflectionsCompletenessR factor#FreeR factor**Bond length (rmsd)TF1-164Bond angle (rmsd)TF1-164Average B
Complex50–1.915,16289.320.825.90.0051.3419.3
nNOS50–1.2531,98995.823.925.50.0041.3915.7
  • * Complex: space groupP212121; a = 31.58, b = 34.31, c = 187.83; one complex per asymmetric unit.

  • nNOS: space groupP212121; a = 35.18, b = 38.99, c = 85.60; one molecule per asymmetric unit.

  • Merged high- and low-resolution data sets.

  • § Rsym = 100 × Σj|Ij − 〈I〉|/ΣjIj.

  • | Phasing power = 〈F H〉/E rms.

  • Rcullis= Σ|FderivFnat| − |FHcalc|/Σ |FderivFnat|.

  • # R factor = Σ|FobsFcalc|/ΣFobs.

  • ** 10% of data was used for calculation of free R factor.

  • rmsd, root mean square deviation.