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. 2021 Sep 27;77(Pt 10):1251–1269. doi: 10.1107/S2059798321009025

Table 1. Neutron protein crystallography structures of transition-state metal oxidoreductases.

Protein PDB entry Sequence length Metal cofactor Conditions Deuteration level Temperature (K) Neutron resolution (Å) X-ray resolution (Å) Space group a, b, c (Å)
Copper nitrite reductase (Achromobacter cycloclastes) 6gtj 340 Cu2+ Resting state, pD 5.4 Perdeuterated 293 1.80 N/A P213 97.98, 97.98, 97.98
Copper nitrite reductase (Geobacillus thermodenitrificans) 6l46 323 Cu2+ Resting state, pD 5.3 H/D exchanged 100 1.50 1.30 H3 114.21, 114.21, 83.69
Copper amine oxidase (Arthrobacter globiformis) 6l9c 621 Cu2+ Cofactor TPQ bound H/D exchanged 100 1.72 1.14 C121 157.55, 61.78, 92.33
Ferric cytochrome c peroxidase (Saccharomyces cerevisiae) 4cvi 294 Fe3+ Ferric heme H/D exchanged 290 2.41 2.10 P212121 51.70, 76.80, 107.60
Ferric cytochrome c peroxidase (Saccharomyces cerevisiae) 4cvj 294 Fe4+ Compound I heme H/D exchanged 100 2.50 2.18 P212121 51.19, 75.83, 107.59
Ferric ascorbate peroxidase (Glycine max) 5jpr 261 Fe4+ Compound II heme H/D exchanged 100 2.20 1.81 P42212 82.10, 82.10, 75.16
Ferric ascorbate peroxidase (Glycine max) 6tae 261 Fe3+ Ferric heme Perdeuterated 100 2.22 1.90 P42212 82.90, 82.90, 75.87
Ferric ascorbate peroxidase (Glycine max) 6xv4 261 Fe3+ Co-substrate ascorbic acid bound Perdeuterated 100 2.09 1.90 P42212 81.86, 81.86, 74.97
Lytic polysaccharide monooxygenase (Neurospora crassa) 5tki 223 Cu2+ Resting state H/D exchanged 298 2.12 1.50 P1211 68.12, 42.23, 70.29
Lytic polysaccharide monooxygenase (Jonesia denitrificans) 5vg1 142 Cu2+ Dioxygen species H/D exchanged 295 2.10 N/A P212121 32.50, 76.40, 122.10
Superoxide dismutase (Homo sapiens) 7kks, 7kku 199 Mn3+ Oxidized Perdeuterated 296 2.20 2.02 P6122 81.30, 81.30, 241.84
Superoxide dismutase (Homo sapiens) 7kkw, 7klb 199 Mn2+ Reduced Perdeuterated 296 2.30 2.16 P6122 81.33, 81.33, 242.88
Chlorite dismutase (Cyanothece PCC7425) 5nku 188 Fe3+ Ferric heme, pD 9.4 H/D exchanged 293 2.35 2.00 P1 52.43, 53.02, 55.34
Amicyanin (Paracoccus denitrificans) 3l45 105 Cu2+ Resting state H/D exchanged 293 1.80 1.50 P1211 27.54, 56.58, 28.86
Manganese catalase (Thermus thermophilus HB27) 6kk8 302 Mn3+ Resting state H/D exchanged 293 2.35 1.37 P213 133.40, 133.40, 133.40