9DNP

Structure of UBR2-RFF complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	77
Detector technology	PIXEL
Collection date	2022-11-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97648
Spacegroup name	C 2 2 21
Unit cell lengths	50.538, 56.987, 115.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.810 - 1.220
R-factor	0.1871
Rwork	0.186
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.902
Data reduction software	DIALS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.220	3.310	1.220
Rmerge	0.097	0.053	1.281
Rmeas	0.104	0.057	1.563
Rpim	0.038	0.020	0.866
Total number of observations	320088
Number of reflections	47384	2648	1294
<I/σ(I)>	7.2
Completeness [%]	95.3	99.2	53.2
Redundancy	6.8	7.2	2.3
CC(1/2)	0.993	0.998	0.195

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	The stock concentration of UBR2UBR for co-crystallization is 6.2 mg/ml. For UBR2UBR-RFF the ligand to protein molar ratio is 1:2 and the reservoirs contain 0.1 M Bis-Tris pH 6.3 with 26% PEG 3350.