3FCN

Crystal structure of an alpha-helical protein of unknown function (rru_a3208) from rhodospirillum rubrum atcc 11170 at 1.45 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97882,0.97828
Spacegroup name	P 21 21 2
Unit cell lengths	70.707, 54.561, 57.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.343 - 1.450
R-factor	0.162
Rwork	0.161
R-free	0.18400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.487
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.343	29.670	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.082	0.047	0.549
Total number of observations		1599	10528
Number of reflections	39973
<I/σ(I)>	5.67	12.2	1.3
Completeness [%]	100.0	97.1	100
Redundancy	3.6	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	1.0000M NaCitrate, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K