9OVX

CRYSTAL STRUCTURE OF UBIQUITIN K27M MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.978570
Spacegroup name	F 4 3 2
Unit cell lengths	144.574, 144.574, 144.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.190 - 1.500
R-factor	0.12979
Rwork	0.129
R-free	0.15367
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	2.115
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.065	0.037	0.756
Rmeas	0.069	0.040	0.848
Rpim	0.022	0.013	0.374
Number of reflections	21257	1222	1022
<I/σ(I)>	10.9
Completeness [%]	99.6	99.3	97.7
Redundancy	9.5	9.4	5.1
CC(1/2)	1.000	0.997	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	CdCl2 (0.2 M), PEG400 (10% v/v), 2-methyl-2,4-pentanediol (12% v/v) and sodium acetate buffer (0.1 M, pH 4.6)