2HH1

Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with dibrominated phosphatidylcholine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91929
Spacegroup name	P 31 2 1
Unit cell lengths	139.543, 139.543, 183.965
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.030 - 2.550
R-factor	0.17986
Rwork	0.178
R-free	0.20984
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unpublished structure of reaction centre at 1.95A resolution
RMSD bond length	0.019
RMSD bond angle	1.758
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.030	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.088	0.538
Number of reflections	67857
<I/σ(I)>	22.6	5.8
Completeness [%]	100.0	100
Redundancy	15.9	16.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	Potassium phosphate, LDAO, 1,2,3-heptanetriol, 1,2,3-hexanetriol, dioxane, NaCl, Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 16.0K