6WW3

Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	41.882, 47.262, 55.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.426 - 2.096
R-factor	0.1869
Rwork	0.185
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ds6
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.181	0.103	0.476
Rmeas	0.215	0.120	0.578
Rpim	0.113	0.062	0.322
Total number of observations	22967
Number of reflections	7588	735	773
<I/σ(I)>	3.5
Completeness [%]	89.2	78.8	93.2
Redundancy	3	2.9	2.8
CC(1/2)		0.991	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M ammonium chloride, 0.1 M Tris, pH 8.0 and 20% PEG 6000