4H9L

Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides with ILE M265 replaced with SER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-29
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	140.190, 140.190, 184.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.900 - 2.770
R-factor	0.192
Rwork	0.191
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pcr
RMSD bond length	0.024
RMSD bond angle	2.580
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.408		2.840
High resolution limit [Å]	2.770	12.390	2.770
Rmerge	0.105	0.033	0.775
Number of reflections	53634
<I/σ(I)>	11.77	28.17	2.14
Completeness [%]	99.5	73.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	drop: 14 mg/mL protein, 0.8 M potassium phosphate, 5 mM Tris, 5 uM EDTA, 3.2% 1,2,3-heptanetriol, 2.0% dioxane, 140 mM sodium chloride, 0.045% LDAO, reservoir: 1.6 M potassium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K