9S0T

Superfolder green fluorescent protein (sfGFP) exhibiting p-(phenylazo)-L-phenylalanine (Pap) at position 39 in complex with alpha-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-25
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97630
Spacegroup name	P 43
Unit cell lengths	69.270, 69.270, 115.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.240 - 2.050
R-factor	0.19005
Rwork	0.188
R-free	0.22825
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XSCALE (Jun 30, 2024)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.240	2.150
High resolution limit [Å]	2.050	2.050
Rmeas	0.136	0.822
Number of reflections	32957	4470
<I/σ(I)>	14.32
Completeness [%]	96.6
Redundancy	3.9
CC(1/2)	0.995	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	3 M sodium chloride, 0.1 M sodium acetate