9LNI

Crystal structure of the de novo designed protein ZZ1

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	2023-06-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	35.281, 67.380, 43.742
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	28.430 - 1.610
R-factor	0.2102
Rwork	0.208
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.480	1.700
High resolution limit [Å]	1.610	1.610
Number of reflections	24327	3468
<I/σ(I)>	8.3
Completeness [%]	97.3
Redundancy	4.4
CC(1/2)	0.997	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	Zinc acetate dihydrate, MES, PEG 8000