7MH4

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

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	2017-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	141.337, 141.337, 186.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.000 - 2.480
R-factor	0.1688
Rwork	0.168
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model from the Chloro derivative
RMSD bond length	0.008
RMSD bond angle	2.219
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]	39.000	39.000	2.540
High resolution limit [Å]	2.480	11.090	2.480
Rmerge	0.108	0.049	1.028
Rmeas	0.121	0.055	1.154
Total number of observations	388566
Number of reflections	76551	926	5619
<I/σ(I)>	10.16	27.19	1.69
Completeness [%]	99.6	95.4	99.8
Redundancy	5.076	4.795	4.855
CC(1/2)	0.996	0.996	0.588

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