Iron in PDB 5m3s: Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin

The structure of Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin, PDB code: 5m3s was solved by D.Axford, R.L.Owen, D.Sherrell, H.Muller-Werkmeister, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.75 / 1.80
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	91.436, 91.436, 45.957, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 22.5

The binding sites of Iron atom in the Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin (pdb code 5m3s). 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 Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin, PDB code: 5m3s:

Iron binding site 1 out of 1 in the Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Low-Dose Fixed Target Serial Synchrotron Crystallography Structure of Metmyoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.6 occ:1.00 FE A:HEM201 0.0 9.6 1.0 NA A:HEM201 2.0 6.7 1.0 NC A:HEM201 2.1 6.5 1.0 ND A:HEM201 2.1 12.1 1.0 NB A:HEM201 2.1 6.6 1.0 NE2 A:HIS94 2.3 10.0 1.0 O A:HOH314 2.4 10.5 1.0 C4A A:HEM201 3.0 12.5 1.0 C1A A:HEM201 3.0 10.4 1.0 C1D A:HEM201 3.1 8.4 1.0 C4C A:HEM201 3.1 11.4 1.0 C4D A:HEM201 3.1 11.6 1.0 C1C A:HEM201 3.1 10.0 1.0 C1B A:HEM201 3.1 11.5 1.0 C4B A:HEM201 3.1 8.7 1.0 CD2 A:HIS94 3.2 10.9 1.0 CE1 A:HIS94 3.3 14.4 1.0 CHB A:HEM201 3.4 11.6 1.0 CHD A:HEM201 3.4 9.8 1.0 CHA A:HEM201 3.4 13.6 1.0 CHC A:HEM201 3.5 13.0 1.0 C3A A:HEM201 4.2 8.6 1.0 C2A A:HEM201 4.2 11.5 1.0 C2D A:HEM201 4.3 15.8 1.0 C3D A:HEM201 4.3 9.5 1.0 C3C A:HEM201 4.3 10.0 1.0 C2C A:HEM201 4.3 8.0 1.0 C2B A:HEM201 4.3 9.0 1.0 C3B A:HEM201 4.3 6.2 1.0 NE2 A:HIS65 4.4 15.3 1.0 ND1 A:HIS94 4.4 14.6 1.0 CG A:HIS94 4.4 12.1 1.0 CE1 A:HIS65 4.7 12.3 1.0 CG2 A:VAL69 4.8 12.9 1.0

R.L.Owen, D.Axford, D.A.Sherrell, A.Kuo, O.P.Ernst, E.C.Schulz, R.J.Miller, H.M.Mueller-Werkmeister. Low-Dose Fixed-Target Serial Synchrotron Crystallography. Acta Crystallogr D Struct V. 73 373 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28375148
DOI: 10.1107/S2059798317002996