9QF1

Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 2

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	2021-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	47.108, 71.264, 75.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.970 - 1.511
R-factor	0.1967
Rwork	0.196
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.790
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.8 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.972	1.629
High resolution limit [Å]	1.504	1.504
Rmerge	0.042
Rmeas	0.046
Number of reflections	123091	701
<I/σ(I)>	25.3
Completeness [%]	74.7
Redundancy	8.8
CC(1/2)	0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25-30% (w/v) PEG3350, 200mM magnesium chloride and 100mM Tris-HCl pH 8.5