9GAO

Crystal structure of CRBNmidi in complex with 2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)-N-methylacetamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	53.507, 94.862, 147.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.980 - 1.950
R-factor	0.2537
Rwork	0.252
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.698
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.857	1.982
High resolution limit [Å]	1.948	1.948
Rmerge	0.144
Number of reflections	55330	2794
<I/σ(I)>	9.7
Completeness [%]	98.9
Redundancy	12.7
CC(1/2)	0.998	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Buffer system I (Molecular Dimensions), 15.45% v/v Precipitant mix 2 (MD), 180 mM Monosaccharides (MD)