8ZUP

Crystal structure of the F99S/M153T/V163A/T203V/E222Q variant of GFP at pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	15
Detector technology	PIXEL
Collection date	2022-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.70
Spacegroup name	P 21 21 21
Unit cell lengths	50.696, 62.273, 68.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.060 - 1.200
R-factor	0.1407
Rwork	0.139
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	1.270
High resolution limit [Å]	1.200	1.200
Rmerge	0.155	0.558
Rmeas	0.168	0.606
Number of reflections	68191	10818
<I/σ(I)>	6.45	2.15
Completeness [%]	99.8	99.2
Redundancy	6.8
CC(1/2)	0.994	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	308	PEG 4000, magnesium chloride, MES-NaOH buffer (pH 5.0)