7RGW

Crystal structure of HERC2 DOC domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	89.365, 89.365, 52.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.250 - 1.990
R-factor	0.1847
Rwork	0.181
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jhj
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.060
High resolution limit [Å]	1.990	4.280	1.990
Rmerge	0.084	0.042	0.325
Rmeas	0.095	0.047	0.399
Rpim	0.042	0.020	0.228
Total number of observations	79108
Number of reflections	16667	1728	1653
<I/σ(I)>	9.8
Completeness [%]	99.8	99.6	99.8
Redundancy	4.7	5	3
CC(1/2)		0.998	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1 M HEPES, pH 7.5, 25% PEG3350