3DTR

E(L212)Q, L(L227)F double mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2004-06-08
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	141.700, 141.700, 187.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.100
Rwork	0.195
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1K6L with the two mutation sites changed as follows: L212Glu changed to Gln (just atom NE2 changed to OE2 kept the same coordinates) and L227Leu changed to Ala by truncating the sidechain at CB
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.119	0.455
Number of reflections	36750
<I/σ(I)>	11.2	2.7
Completeness [%]	96.0	91
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Potassium phosphate, LDAO, Heptane triol, Dioxane, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K