Literature DB >> 35511026

ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF. Corrigendum.

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


Some of the values reported in Table 2 ▸ of Nanao et al. (2022 ▸) were found to be incorrect. The full correct table is shown below.
Table 2

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 helicalCubic insulin MeshAndCollect
Wavelength (Å)0.8730.873
No. of crystals1142
Resolution range (Å)39.28–1.203 (1.246–1.203)32.07–1.750 (1.80–1.75)
Space group I213 I213
Unit cell
a, b, c (Å)78.5078.47 (78.27–78.73)
 α, β, γ (°) 9090
Total reflections2269388 (146102)1257717 (95649)
Unique reflections25126 (2395)15814 (1184)
Multiplicity90.3 (58.7)79.53 (80.78)
Completeness (%)99.45 (95.30)100 (99.7)
I/σ(I)〉30.66 (1.26)25.48 (1.36)
Wilson B factor17.0313.18
R meas 0.106 (2.697)0.155 (4.143)
CC1/2 1 (0.565)1 (0.685)
Anomalous correlation (inner)23
SigAno0.8160.842
Reflections used in refinement23764 (1661)
Reflections used for R free 1264 (89)
R work 0.150 (0.297)
R free 0.164 (0.319)
CCwork 0.952
CCfree 0.948
No. of non-hydrogen atoms457
Macromolecules335
Solvent122
Protein residues50
RMS (bonds)0.021
RMS (angles)2.362
Ramachandran favored (%)100.00
Ramachandran allowed (%)0.00
Ramachandran outliers (%)0.00
Rotamer outliers (%)0.00
Clashscore3.90
Average B factor23.51
Macromolecules20.76
Solvent41.56
  1 in total

1.  ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF.

Authors:  Max Nanao; Shibom Basu; Ulrich Zander; Thierry Giraud; John Surr; Matias Guijarro; Mario Lentini; Franck Felisaz; Jeremy Sinoir; Christian Morawe; Amparo Vivo; Antonia Beteva; Marcus Oscarsson; Hugo Caserotto; Fabien Dobias; David Flot; Didier Nurizzo; Jonathan Gigmes; Nicolas Foos; Ralf Siebrecht; Thomas Roth; Pascal Theveneau; Olof Svensson; Gergely Papp; Bernard Lavault; Florent Cipriani; Ray Barrett; Carole Clavel; Gordon Leonard
Journal:  J Synchrotron Radiat       Date:  2022-02-22       Impact factor: 2.616

  1 in total

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