Table 1.

Ns H-NOX crystallography data collection and refinement statistics

WT Ns H-NOXL66WL67WL66W/L67W
Native1 atm Xe6 atm XeNative6 atm XeNativeNative
Wavelength, Å0.971.401.400.971.400.970.97
Space groupP213P213P213P213P213P213P213
Cell dimensions
a = b = c, Å123.7124.4123.9123.2123.3123.2123.1
α = β = γ, °90909090909090
Resolution, Å50.00–2.13 (2.17–2.13)50.00–2.59(2.63–2.59)50.00–2.27(2.31–2.27)50.00–1.96(1.99–1.96)50.00–1.99(2.02–1.99)50.00–1.94(1.97–1.94)50.00–1.90(1.93–1.90)
Redundancy5.6 (5.6)6.3 (6.1)6.3 (5.9)5.5 (5.6)6.8 (6.5)6.8 (6.8)6.8 (6.8)
Completeness*, %99.9 (100.0)99.5(100.0)99.5(97.9)100.0(100.0)100.0(100.0)100.0(100.0)100.0(100.0)
Rsym, %6.5 (63.4)7.3 (61.6)5.4 (28.1)4.9 (64.6)5.6 (68.3)5.5 (61.5)6.2 (62.5)
I/σ23.6 (3.2)20.4 (2.78)30.2 (5.76)29.9(2.28)28.7(2.91)29.8(3.70)28.2(3.32)
No. of reflections38,52840,54955,25643,49779,66148,22851,187
Rwork/Rfree, %16.4/20.017.0/20.516.2/19.016.3/18.715.6/17.316.5/18.816.0/18.3
Molecules in ASU2222222
No. atoms
 Protein2,8862,8192,7792,8902,8753,0383,022
 Heme96969696969696
 Xenon0260400
 Solvent2242090205191247262
Rms deviation
 Bond lengths, Å0.0100.0210.0100.0090.0090.0090.018
 Bond angles, °1.2331.8811.2671.2901.2271.2511.661
Xenon occupancy
 Molecule A0.3§0.6§, 0.3, 0.4||0.3§, 0.1
 Molecule B0.3§0.7§, 0.4,, 0.5||0.4§, 0.1
  • *Overall completeness.

  • ASU, asymmetric unit.

  • Non-hydrogen atoms.

  • §Xe1.

  • Xe2.

  • ||Xe3.