9DNO

Structure of UBR1-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	2024-04-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	29.507, 48.952, 49.946
Unit cell angles	90.00, 106.85, 90.00

Refinement procedure

Resolution	47.800 - 1.330
R-factor	0.1987
Rwork	0.198
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.074
Number of reflections	36357	909
<I/σ(I)>	10	0.1
Completeness [%]	91.7	45.7
Redundancy	5.2
CC(1/2)		0.053

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	The stock concentration of UBR1UBR for co-crystallization is 7.52 mg/ml. The ligand to protein molar ratio for UBR1UBR-RFF co-crystal is 1:2, and the reservoir contains 0.1 M Bis-Tris pH 5.5 with 24% PEG 3350. Crystals were soaked in cryoprotection liquid consisting of mother reservoir condition supplemented with 15% glycerol prior to flash freezing in liquid nitrogen.