| Literature DB >> 35787581 |
Jose M Martin-Garcia1, Sabine Botha2, Hao Hu2, Rebecca Jernigan1, Albert Castellví3, Stella Lisova2, Fernando Gil4, Barbara Calisto4, Isidro Crespo4, Shatabdi Roy-Chowdhury1, Alice Grieco5, Gihan Ketawala1, Uwe Weierstall1, John Spence1, Petra Fromme1, Nadia Zatsepin1, Dirk Roeland Boer4, Xavi Carpena4.
Abstract
A revised version of Table 2 of Martin-Garcia et al. [J. Synchrotron Rad. (2022). 29, 896-907] is provided. open access.Entities:
Keywords: ALBA; LCP; XALOC; microcrystal; serial synchrotron crystallography; viscous jet
Year: 2022 PMID: 35787581 PMCID: PMC9255580 DOI: 10.1107/S1600577522005185
Source DB: PubMed Journal: J Synchrotron Radiat ISSN: 0909-0495 Impact factor: 2.557
Data refinement statistics (values in parentheses are for the high-resolution shell)
| Lysozyme | Proteinase K | Phycocyanin | α-Spectrin-SH3 | Insulin | |
|---|---|---|---|---|---|
| Resolution range (Å) | 35.35–2.1 (2.16–2.10) | 44.21–1.9 (1.95–1.9) | 43.4–2.1 (2.16–2.1) | 32.6–2.1 (2.16–2.1) | 24.35–1.71 |
| Completeness (%) | 100 (100) | 100 (100) | 99.2 (90.0) | 99.1 (88.1) | 99.7 (96.0) |
| No. of reflections, working set | 6723 (479) | 19879 (1431) | 22830 (1530) | 4110 (264) | 8163 (584) |
| No. of reflections, test set | 741 (59) | 1071 (79) | 1185 (78) | 503 (33) | 908 (56) |
| Rwork (%) | 17.9 | 16.5 | 30.5 | 19.4 | 24.0 |
| Rfree (%) | 23.2 | 19.6 | 34.7 | 23.9 | 25.8 |
| No. of atoms | |||||
| Protein | 1001 | 2068 | 2488 | 462 | 808 |
| Ions | 1 | 2 | 2 | 0 | 3 |
| Ligands | 0 | 4 | 138 | 0 | 0 |
| Water | 17 | 89 | 43 | 5 | 15 |
| Total | 1019 | 2163 | 2671 | 467 | 826 |
| R.m.s. deviations | |||||
| Bonds (Å) | 0.010 | 0.011 | 0.005 | 0.012 | 0.006 |
| Angles (°) | 1.582 | 1.596 | 1.162 | 1.826 | 1.271 |
| Average | |||||
| Protein | 46.9 | 30.4 | 53.9 | 62.1 | 33.0 |
| Ions | 64.5 | 33.0 | 92.8 | 0 | 35.1 |
| Ligands | 0 | 55.3 | 57.6 | 0 | 0 |
| Water | 40.0 | 35.1 | 47.4 | 59.7 | 34.2 |
| Ramachandran plot | |||||
| Favoured (%) | 96.1 | 96.0 | 97.6 | 98.2 | 94.7 |
| Allowed (%) | 3.9 | 3.6 | 2.1 | 1.8 | 4.3 |
| PDB code |
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