8JL6

Crystal structure of the Green fluorescent protein SEA227D variant at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	193
Detector technology	CCD
Collection date	2022-11-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	75.808, 80.526, 180.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 2.880
R-factor	0.2001
Rwork	0.194
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.161
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.740	3.000
High resolution limit [Å]	2.880	6.240	2.900
Rmerge	0.195	0.139	0.321
Rmeas	0.215	0.149	0.384
Rpim	0.086	0.052	0.205
Number of reflections	24658	2704	2234
<I/σ(I)>	3.9
Completeness [%]	95.1	97.4	87.5
Redundancy	5	7.5	2.8
CC(1/2)	0.934	0.991	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M Citric acid pH 5.5-6.0, 20% (w/v) PEG 6000