8VTJ

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant Y(M210)2-cyanophenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	250
Detector technology	PIXEL
Collection date	2023-08-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97893
Spacegroup name	P 31 2 1
Unit cell lengths	141.290, 141.290, 187.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.850 - 2.810
R-factor	0.1718
Rwork	0.171
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.910
High resolution limit [Å]	2.810	2.810
Rmerge	0.276	2.275
Rmeas	0.281	2.382
Rpim	0.059	0.490
Number of reflections	53054	5188
<I/σ(I)>	13.01	1.46
Completeness [%]	99.8	99.3
Redundancy	22.6	22.1
CC(1/2)	0.998	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1 M potassium phosphate, 3.5% 1,2,3-heptanetriol, and 0.1% LDAO precipitant solution; 1.4-1.5 M potassium phosphate reservoir solution, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K