8J98

A near-infrared fluorescent protein of de novo backbone design

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	2022-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978510
Spacegroup name	P 65
Unit cell lengths	105.987, 105.987, 41.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.690 - 2.900
R-factor	0.211
Rwork	0.209
R-free	0.24630
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.635
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	6001	499
<I/σ(I)>	12.06
Completeness [%]	95.7
Redundancy	15
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	3.5 M Sodium Formate, 0.1 M Tris, pH 8.5