8ZUT

Crystal structure of the F99S/M153T/V163A 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]	16
Detector technology	PIXEL
Collection date	2018-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.70
Spacegroup name	P 21 21 21
Unit cell lengths	50.536, 62.347, 67.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 1.480
R-factor	0.1628
Rwork	0.161
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.880	1.570
High resolution limit [Å]	1.480	1.480
Rmerge	0.152	1.972
Rmeas	0.165	2.789
Number of reflections	36341	3504
<I/σ(I)>	9.01
Completeness [%]	99.9
Redundancy	6.56
CC(1/2)	0.997	0.053

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	308	PEG 4000, magnesium chloride, Tris-HCl buffer (pH 8.5)