8J1X

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	2022-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	64.330, 50.545, 66.651
Unit cell angles	90.00, 112.38, 90.00

Refinement procedure

Resolution	38.520 - 2.250
R-factor	0.1968
Rwork	0.196
R-free	0.21410
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.014
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	2.334
High resolution limit [Å]	2.250	2.250
Number of reflections	9424	869
<I/σ(I)>	19.17
Completeness [%]	99.2
Redundancy	6.3
CC(1/2)	0.999	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350