8C3F

Double mutant I(L177)H/F(M197)H structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03312
Spacegroup name	P 31 2 1
Unit cell lengths	139.346, 139.346, 184.574
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.120 - 2.600
R-factor	0.1955
Rwork	0.194
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v3z
RMSD bond length	0.008
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.100	2.160
Number of reflections	64208	4564
<I/σ(I)>	19.2	1.04
Completeness [%]	99.7
Redundancy	9.9
CC(1/2)	0.990	0.970

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, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K