7DGU

De novo designed protein H4A1R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	P 32 2 1
Unit cell lengths	33.407, 33.407, 159.787
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.810 - 1.750
R-factor	0.2017
Rwork	0.198
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.810	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.072	1.008
Number of reflections	11152	1073
<I/σ(I)>	18.4
Completeness [%]	99.7
Redundancy	9.8
CC(1/2)	0.999	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	2.0 M Potassium/sodium phosphate pH 7.0