8THS

Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, LEA A69T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	72.447, 106.084, 123.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 1.500
R-factor	0.1636
Rwork	0.162
R-free	0.18806
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.769
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.740	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.066	1.814
Rmeas	0.071	2.050
Rpim	0.025	0.927
Total number of observations	1183642	33660
Number of reflections	152026	7274
<I/σ(I)>	18.3	0.8
Completeness [%]	99.8
Redundancy	7.8	4.6
CC(1/2)	1.000	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	2 microliters of protein at 20 mg/mL in 10 mM HEPES pH 7.5 + 75 mM NaCl mixed with 2 microliters of well solution containing 35% PEG 3350 + 0.3 M potassium nitrate