8VTK

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

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	140.950, 140.950, 186.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.760 - 3.070
R-factor	0.1789
Rwork	0.177
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.385
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]	39.760	3.180
High resolution limit [Å]	3.070	3.070
Rmerge	0.264	2.075
Rmeas	0.269	2.238
Rpim	0.066	0.507
Number of reflections	40589	3968
<I/σ(I)>	12.68	1.48
Completeness [%]	99.9	99.97
Redundancy	16.8	17.7
CC(1/2)	0.998	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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