Crystallography Open Database

Information card for entry 1557961

Preview

Coordinates	1557961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H20 Cl N O2
Calculated formula	C28.5 H20 Cl N O2
Title of publication	Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.
Authors of publication	Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.
Journal of publication	Bioconjugate chemistry
Year of publication	2020
a	11.6036 ± 0.0004 Å
b	12.4468 ± 0.0004 Å
c	14.8235 ± 0.0005 Å
α	83.0917 ± 0.0004°
β	83.3753 ± 0.0004°
γ	89.1925 ± 0.0004°
Cell volume	2111.19 ± 0.12 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251309 (current)	2020-04-30	cif/ Adding structures of 1557961 via cif-deposit CGI script.	1557961.cif