7MHA

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; W252V mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-01-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	142.193, 142.193, 187.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.190 - 2.790
R-factor	0.1569
Rwork	0.156
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	2.231
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.190	39.190	2.860
High resolution limit [Å]	2.790	12.480	2.790
Rmerge	0.127	0.023	1.304
Rmeas	0.133	0.025	1.372
Total number of observations	569724
Number of reflections	55101	676	4022
<I/σ(I)>	17.36	67.14	2.1
Completeness [%]	99.9	95.3	100
Redundancy	10.34	9.105	10.263
CC(1/2)	0.999	1.000	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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