8C5X

Double mutant A(L37)C/S(L99)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-08
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 31 2 1
Unit cell lengths	139.850, 139.850, 186.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.890 - 2.600
R-factor	0.1868
Rwork	0.186
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.170	1.600
Number of reflections	65303	4784
<I/σ(I)>	10.13	1.42
Completeness [%]	99.9	100
Redundancy	8.6
CC(1/2)	0.990	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	3.5% 1,2,3 -heptanetriol, 2% dioxane, 0.1% LDAO, 1M potassium phosphate