3G7F

Crystal structure of Blastochloris viridis heterodimer mutant reaction center

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-28
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	220.132, 220.132, 112.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.17726
Rwork	0.176
R-free	0.20556
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i5n
RMSD bond length	0.014
RMSD bond angle	1.503
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.137	0.709
Number of reflections	95377
Redundancy	7.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	298	Plug-based microfluidics, Precipitant was mixed with buffer and RC sample in a microfluidic chip. The final precipitant concentration was ~1.7 M ammonium sulfate, 0.1% LDAO,30 mM NaH2PO4-Na2HPO4, pH 6.0, 3% 1,2,3-heptanetriol, 1.9% triethylammonium phosphate. RC concentration was ~ 9.4 mg/mL, Microbatch, temperature 298K