7DGW

De novo designed protein H4A2S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 2
Unit cell lengths	46.526, 53.801, 30.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.192 - 1.350
R-factor	0.1944
Rwork	0.191
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.192	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.041	0.248
Number of reflections	17343	1641
<I/σ(I)>	29
Completeness [%]	99.5
Redundancy	12
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1M HEPES pH 7.5, 20% PEG 10000