2HG3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	P 31 2 1
Unit cell lengths	139.844, 139.844, 184.335
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.350 - 2.700
R-factor	0.16624
Rwork	0.164
R-free	0.19944
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Starting model (for MR)	Unpublished structure of reaction centre at 1.95A resolution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	1.856
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]	34.360	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.082	0.629
Number of reflections	57840
<I/σ(I)>	14.6	2.6
Completeness [%]	99.9	100
Redundancy	5.8	5.8

Crystallization Conditions

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