9KGZ

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

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	C 1 2 1
Unit cell lengths	70.886, 47.680, 38.930
Unit cell angles	90.00, 97.96, 90.00

Refinement procedure

Resolution	28.710 - 1.800
R-factor	0.1765
Rwork	0.175
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.710	1.865
High resolution limit [Å]	1.800	1.800
Number of reflections	11988	11974
<I/σ(I)>	51.09
Completeness [%]	99.5
Redundancy	5.9
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30% PEG 400, 0.1M Tris, 0.2M Sodium citrate tribasic dihydrate