3T6E

Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-94

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9194
Spacegroup name	P 43 21 2
Unit cell lengths	221.583, 221.583, 113.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.460 - 1.920
R-factor	0.15598
Rwork	0.155
R-free	0.17804
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t6d
RMSD bond length	0.019
RMSD bond angle	2.230
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0101)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.460	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.115	0.823
Number of reflections	212134
<I/σ(I)>	9.4	1.6
Completeness [%]	99.5	99.1
Redundancy	19.35	18.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	Protein in 20 mM sodium phosphate buffer and 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