7MH3

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

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	2017-11-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97893
Spacegroup name	P 31 2 1
Unit cell lengths	141.674, 141.674, 187.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.110 - 2.300
R-factor	0.1579
Rwork	0.157
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8c
RMSD bond length	0.007
RMSD bond angle	2.167
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.110	39.110	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.115	0.054	1.187
Rmeas	0.127	0.060	1.317
Total number of observations	484297
Number of reflections	91797	1150	6851
<I/σ(I)>	9.8	26.1	1.57
Completeness [%]	94.8	95.5	95.8
Redundancy	5.276	4.801	5.199
CC(1/2)	0.996	0.994	0.553

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