7MH8

Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-methyltyrosine

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	2018-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.19499
Spacegroup name	P 31 2 1
Unit cell lengths	140.960, 140.960, 187.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.960 - 2.750
R-factor	0.1799
Rwork	0.179
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chloro coordiante
RMSD bond length	0.006
RMSD bond angle	2.139
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]	38.960	38.960	2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.150	0.030	1.422
Rmeas	0.160	0.032	1.512
Total number of observations	479326
Number of reflections	56220	685	4158
<I/σ(I)>	11.39	46.08	1.67
Completeness [%]	99.7	95.3	100
Redundancy	8.526	7.939	8.743
CC(1/2)	0.998	1.000	0.649

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