4HBJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-04
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	139.540, 139.540, 185.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.867 - 2.740
R-factor	0.191
Rwork	0.189
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pcr
RMSD bond length	0.022
RMSD bond angle	2.380
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]	19.867		2.810
High resolution limit [Å]	2.740	12.250	2.740
Rmerge	0.123	0.048	0.758
Number of reflections	54952
<I/σ(I)>	12.24	27.3	2.7
Completeness [%]	99.4	72.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	drop: 14 mg/mL protein, 0.8 M Potassium Phosphate, 5 mM Tris, 5 uM EDTA, 3.6% 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