4HBH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-23
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	139.720, 139.720, 183.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	121.000 - 2.930
R-factor	0.187
Rwork	0.185
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pcr
RMSD bond length	0.021
RMSD bond angle	2.364
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]	121.001		3.010
High resolution limit [Å]	2.930	13.100	2.930
Rmerge	0.125	0.057	0.793
Number of reflections	45001
<I/σ(I)>	13.37	28.71	2.89
Completeness [%]	99.6	69.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	drop: 13 mg/mL protein, 0.8 M potassium phosphate, 5 mM Tris, 5 uM EDTA, 4.0% 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 298K