8J1W

A near-infrared fluorescent protein of de novo backbone design

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	63.869, 50.138, 66.640
Unit cell angles	90.00, 111.43, 90.00

Refinement procedure

Resolution	27.480 - 1.950
R-factor	0.1892
Rwork	0.187
R-free	0.24030
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.019
High resolution limit [Å]	1.950	1.950
Number of reflections	14068	1345
<I/σ(I)>	21.37
Completeness [%]	97.2
Redundancy	6.7
CC(1/2)	1.000	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	20% PEG 3350, 0.2 M K dihydrogen Phosphate