6WW4

Crystal structure of HERC2 ZZ domain in complex with histone H3 tail

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-11-29
Detector	RDI CMOS_8M
Wavelength(s)	1.28
Spacegroup name	P 1 21 1
Unit cell lengths	24.933, 76.439, 33.012
Unit cell angles	90.00, 102.52, 90.00

Refinement procedure

Resolution	38.219 - 2.252
R-factor	0.2032
Rwork	0.199
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ds6
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	autoXDS
Data scaling software	autoXDS
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	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.083	0.061	0.157
Rmeas	0.091	0.067	0.184
Rpim	0.036	0.028	0.093
Total number of observations	31141
Number of reflections	5256	583	314
<I/σ(I)>	13.6
Completeness [%]	91.0	97.3	54.7
Redundancy	5.9	5.9	3.2
CC(1/2)		0.994	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, and 17% PEG 10000