| Literature DB >> 35511026 |
Max Nanao1, Shibom Basu2, Ulrich Zander2, Thierry Giraud1, John Surr1, Matias Guijarro1, Mario Lentini1, Franck Felisaz2, Jeremy Sinoir2, Christian Morawe1, Amparo Vivo1, Antonia Beteva1, Marcus Oscarsson1, Hugo Caserotto1, Fabien Dobias1, David Flot1, Didier Nurizzo1, Jonathan Gigmes1, Nicolas Foos1, Ralf Siebrecht3, Thomas Roth1, Pascal Theveneau1, Olof Svensson1, Gergely Papp1, Bernard Lavault3, Florent Cipriani2, Ray Barrett1, Carole Clavel1, Gordon Leonard1.
Abstract
A revised version of Table 2 of Nanao et al. [J. Synchrotron Rad. (2022). 29, 581-590] is provided. open access.Entities:
Keywords: MD3Up high-precision multi-axis diffractometer; macromolecular crystallography; microcrystallography
Year: 2022 PMID: 35511026 PMCID: PMC9070714 DOI: 10.1107/S1600577522002818
Source DB: PubMed Journal: J Synchrotron Radiat ISSN: 0909-0495 Impact factor: 2.557
Data collection and refinement statistics
Statistics for the highest-resolution shell are shown in parentheses. For the MeshAndCollect data, the average cell edge and range are provided. A refinement was not performed for these data.
| Cubic insulin helical | Cubic insulin | |
|---|---|---|
| Wavelength (Å) | 0.873 | 0.873 |
| No. of crystals | 1 | 142 |
| Resolution range (Å) | 39.28–1.203 (1.246–1.203) | 32.07–1.750 (1.80–1.75) |
| Space group |
|
|
| Unit cell | ||
|
| 78.50 | 78.47 (78.27–78.73) |
| α, β, γ (°) | 90 | 90 |
| Total reflections | 2269388 (146102) | 1257717 (95649) |
| Unique reflections | 25126 (2395) | 15814 (1184) |
| Multiplicity | 90.3 (58.7) | 79.53 (80.78) |
| Completeness (%) | 99.45 (95.30) | 100 (99.7) |
| 〈 | 30.66 (1.26) | 25.48 (1.36) |
| Wilson | 17.03 | 13.18 |
|
| 0.106 (2.697) | 0.155 (4.143) |
| CC1/2 | 1 (0.565) | 1 (0.685) |
| Anomalous correlation (inner) | 2 | 3 |
| SigAno | 0.816 | 0.842 |
| Reflections used in refinement | 23764 (1661) | – |
| Reflections used for | 1264 (89) | – |
|
| 0.150 (0.297) | – |
|
| 0.164 (0.319) | – |
| CCwork | 0.952 | – |
| CCfree | 0.948 | – |
| No. of non-hydrogen atoms | 457 | – |
| Macromolecules | 335 | – |
| Solvent | 122 | – |
| Protein residues | 50 | – |
| RMS (bonds) | 0.021 | – |
| RMS (angles) | 2.362 | – |
| Ramachandran favored (%) | 100.00 | – |
| Ramachandran allowed (%) | 0.00 | – |
| Ramachandran outliers (%) | 0.00 | – |
| Rotamer outliers (%) | 0.00 | – |
| Clashscore | 3.90 | – |
| Average | 23.51 | – |
| Macromolecules | 20.76 | – |
| Solvent | 41.56 | – |