4H99

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

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	2010-03-11
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	138.870, 138.870, 185.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.770 - 2.970
R-factor	0.174
Rwork	0.174
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pcr
RMSD bond length	0.035
RMSD bond angle	3.196
Data reduction software	XDS
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]	120.265		3.050
High resolution limit [Å]	2.970	13.280	2.970
Rmerge	0.094	0.027	0.762
Number of reflections	42919
<I/σ(I)>	15.79	44.88	2.22
Completeness [%]	99.2	64	99.9

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, cryoprotectant: 28% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K