4IN6

(M)L214A mutant of the Rhodobacter sphaeroides Reaction Center

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	139.028, 139.028, 184.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.620 - 2.700
R-factor	0.1844
Rwork	0.182
R-free	0.22349
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.825
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.154	0.076	0.545
Number of reflections	56256
<I/σ(I)>	16.5
Completeness [%]	98.5	96.2	97.8
Redundancy	5.9	6.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	1 M potassium phosphate pH 7.4, 3.5% 1,2,3-heptanetriol, and 0.1% LDAO precipitant solution; 1.52 M potassium phosphate reservoir solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K