7MH9

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

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	2019-02-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.19499
Spacegroup name	P 31 2 1
Unit cell lengths	141.210, 141.210, 187.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.070 - 3.100
R-factor	0.1711
Rwork	0.169
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CHLROTYROSINE MODEL
RMSD bond length	0.007
RMSD bond angle	2.218
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]	39.070	39.070	3.180
High resolution limit [Å]	3.100	13.860	3.100
Rmerge	0.347	0.067	1.533
Rmeas	0.358	0.069	1.580
Total number of observations	661446
Number of reflections	39799	484	2919
<I/σ(I)>	7.18	27.29	1.63
Completeness [%]	99.9	94	100
Redundancy	16.62	15.289	17.05
CC(1/2)	0.994	0.999	0.706

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