4IN5

(M)L214G mutant of the Rhodobacter sphaeroides Reaction Center

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	139.109, 139.109, 184.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.620 - 2.200
R-factor	0.18249
Rwork	0.181
R-free	0.20619
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8c
RMSD bond length	0.017
RMSD bond angle	2.633
Data scaling software	SCALA (3.3.16)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.472	55.558	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.035	0.590
Number of reflections	105008
<I/σ(I)>	11.3	14.8	1.2
Completeness [%]	99.9	98.3	100
Redundancy	5.5	5.2	5.4

Crystallization Conditions

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