9BIV

Crystal Structure of Ubc13 with a New Active Site Loop Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-15
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	86.361, 42.942, 93.790
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	42.684 - 1.680
R-factor	0.1454
Rwork	0.144
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.803
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3546: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.680	1.680
Rmeas		0.286
Number of reflections	37365	1843
<I/σ(I)>	5.37
Completeness [%]	99.9
Redundancy	7.6
CC(1/2)	0.940	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	298	Ubc13-Mms2 heterodimer was concentrated to 12 mg/mL and stored in 50 mM Tris pH 7.5, 150 mM NaCl, 1mM TCEP. Complex was left to slowly equilibrate from 277K to 298 overnight