8JLL

Crystal structure of the Green fluorescent protein SEA227D variant at pH 9.5

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	76.210, 80.964, 179.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.190 - 2.690
R-factor	0.2058
Rwork	0.201
R-free	0.28230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.169
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	6.310	2.800
High resolution limit [Å]	2.690	5.810	2.700
Rmerge	0.200	0.131	0.450
Rmeas	0.226	0.139	0.509
Rpim	0.076	0.044	0.228
Number of reflections	30706	3292	2835
<I/σ(I)>	2.5
Completeness [%]	97.4	97.7	91.8
Redundancy	7.1	8.7	3.5
CC(1/2)	0.936	0.991	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M CHES pH 9.5, 0.2M sodium chloride, 1.26M ammonium sulfate