Iron in PDB 7a45: Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography

The structure of Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography, PDB code: 7a45 was solved by P.Mehrabi, E.C.Schulz, R.Buecker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.47 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.9, 47.9, 83.5, 90, 90, 90
R / Rfree (%)	16.8 / 20.9

The binding sites of Iron atom in the Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography (pdb code 7a45). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography, PDB code: 7a45:

Iron binding site 1 out of 1 in the Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Bound Sperm Whale Myoglobin Measured By Serial Femtosecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.1 occ:1.00 FE A:HEM201 0.0 19.1 1.0 C A:CMO203 1.5 28.5 1.0 NC A:HEM201 2.0 15.7 1.0 NA A:HEM201 2.0 16.5 1.0 NB A:HEM201 2.1 15.2 1.0 ND A:HEM201 2.1 20.1 1.0 NE2 A:HIS93 2.1 18.7 1.0 O A:CMO203 2.6 24.0 1.0 C4C A:HEM201 3.0 18.7 1.0 C1A A:HEM201 3.1 17.8 1.0 C4B A:HEM201 3.1 17.3 1.0 CE1 A:HIS93 3.1 21.8 1.0 C4D A:HEM201 3.1 18.2 1.0 CD2 A:HIS93 3.1 17.7 1.0 C4A A:HEM201 3.1 17.6 1.0 C1C A:HEM201 3.1 16.6 1.0 C1D A:HEM201 3.1 17.8 1.0 C1B A:HEM201 3.1 14.2 1.0 CHA A:HEM201 3.4 20.4 1.0 CHD A:HEM201 3.4 21.2 1.0 CHC A:HEM201 3.4 18.4 1.0 CHB A:HEM201 3.5 15.3 1.0 ND1 A:HIS93 4.2 20.9 1.0 CG A:HIS93 4.2 19.5 1.0 C3C A:HEM201 4.2 18.8 1.0 C2C A:HEM201 4.3 20.4 1.0 C2A A:HEM201 4.3 23.3 1.0 C3D A:HEM201 4.3 20.2 1.0 C3B A:HEM201 4.3 18.9 1.0 C3A A:HEM201 4.3 16.6 1.0 C2D A:HEM201 4.3 20.8 1.0 C2B A:HEM201 4.3 16.7 1.0 NE2 A:HIS64 4.7 27.7 1.0 CG2 A:VAL68 5.0 27.8 1.0 CD2 A:HIS97 5.0 25.0 1.0

P.Mehrabi, R.Bucker, G.Bourenkov, H.M.Ginn, D.Von Stetten, H.M.Muller-Werkmeister, A.Kuo, T.Morizumi, B.T.Eger, W.L.Ou, S.Oghbaey, A.Sarracini, J.E.Besaw, O.Pare-Labrosse, S.Meier, H.Schikora, F.Tellkamp, A.Marx, D.A.Sherrell, D.Axford, R.L.Owen, O.P.Ernst, E.F.Pai, E.C.Schulz, R.J.D.Miller. Serial Femtosecond and Serial Synchrotron Crystallography Can Yield Data of Equivalent Quality: A Systematic Comparison. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 33731353
DOI: 10.1126/SCIADV.ABF1380