3T6D

Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-08

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97108
Spacegroup name	P 43 21 2
Unit cell lengths	220.440, 220.440, 113.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.340 - 1.950
R-factor	0.18343
Rwork	0.182
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unpublished own 2.3 A model for which the 1DXR model was used in the MR
RMSD bond length	0.019
RMSD bond angle	2.236
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.6.0101)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.086	0.592
Number of reflections	193320	19553
<I/σ(I)>	7.1	1.9
Completeness [%]	96.2	98.6
Redundancy	4.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	Protein in 20 mM sodium phosphate buffer, 0.1% lauryldimethylamine N,N-oxide (LDAO) detergent, precipitant 1.5 M ammonium sulfate, amphiphile 3% heptanetriol, reservoir solution 2.2-2.4 M ammonium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K