7MH5

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

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	141.414, 141.414, 186.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.950 - 2.850
R-factor	0.1814
Rwork	0.180
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model from the Photosynthetic Reaction Center variant with Chlorotyrosine at M210
RMSD bond length	0.007
RMSD bond angle	2.209
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]	38.950	38.950	2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.116	0.041	1.287
Rmeas	0.126	0.045	1.391
Total number of observations	340963
Number of reflections	50807	619	3705
<I/σ(I)>	12.18	35.25	1.61
Completeness [%]	99.9	94.4	100
Redundancy	6.711	6.136	6.964
CC(1/2)	0.998	0.998	0.582

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