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Information card for entry 2017664
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| Coordinates | 2017664.cif |
|---|---|
| Structure factors | 2017664.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | L-Histidine–Inosine-5'-phosphate complex methanol solvate hydrate |
|---|---|
| Chemical name | L-Histdinium inosine-5'-phosphate methanol solvate monohydrate |
| Formula | C17 H28 N7 O12 P |
| Calculated formula | C17 H28 N7 O12 P |
| SMILES | P(=O)(O)([O-])OC[C@H]1O[C@@H](n2c3nc[nH]c(=O)c3nc2)[C@H](O)[C@@H]1O.[O-]C(=O)[C@@H]([NH3+])Cc1[nH+]c[nH]c1.O.OC |
| Title of publication | Nucleotide–amino acid interactions in the <small>L</small>-His–IMP·MeOH·H~2~O complex |
| Authors of publication | Ślepokura, Katarzyna; Petrus, Rafał |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | o265 - o269 |
| a | 14.195 ± 0.006 Å |
| b | 4.816 ± 0.003 Å |
| c | 17.029 ± 0.006 Å |
| α | 90° |
| β | 102.58 ± 0.03° |
| γ | 90° |
| Cell volume | 1136.2 ± 1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1492 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.774 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2017664.cif 2017664.hkl |
| 180845 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76. |
2017664.cif 2017664.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017664.cif 2017664.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017664.cif 2017664.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017664.cif 2017664.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017664.cif 2017664.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2017664.cif 2017664.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2017664.cif |
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Users of the data should acknowledge the original authors of the
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