8YL4

Crystal structure of the de novo designed protein 200 AA in the crystal form 1

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	2023-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	95.115, 95.115, 128.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.230 - 2.880
R-factor	0.2474
Rwork	0.245
R-free	0.28920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.362
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]	76.450	3.030
High resolution limit [Å]	2.880	2.880
Rmerge	0.106	1.795
Number of reflections	13994	1986
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	Sodium citrate tribasic dihydrate, HEPES