9KGY

Crystal structure of a de novo designed monomeric mainly-beta protein B10 (orthorhombic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	80.879, 85.163, 94.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.740 - 1.700
R-factor	0.1746
Rwork	0.174
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	6.316
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.740	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	71785	71778
<I/σ(I)>	36.56
Completeness [%]	99.4
Redundancy	10
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	30%peg3350 (w/v),0.1M tris-hcl 8.5, 0.2MNaCl