8JLM

Crystal structure of the Green fluorescent protein SET203EF223DA227 variant at pH 4.5

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	2022-06-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	35.240, 46.194, 123.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.810 - 1.850
R-factor	0.1979
Rwork	0.193
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.049
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	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.101	0.057	0.356
Rmeas	0.108	0.060	0.405
Rpim	0.035	0.017	0.188
Total number of observations	129915
Number of reflections	17624	1931	1679
<I/σ(I)>	7.5
Completeness [%]	98.5	98.7	96.3
Redundancy	7.4	11.1	4
CC(1/2)	0.995	0.999	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M acetate pH 4.5, 25% (w/v) PEG 1500, 30% (w/v) MPD