3MSQ

Crystal structure of a Putative ubiquinone biosynthesis protein (Npun02000094) from Nostoc punctiforme PCC 73102 at 2.85 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	2008-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97937,0.97882
Spacegroup name	P 2 2 21
Unit cell lengths	81.720, 82.030, 187.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.266 - 2.850
R-factor	0.197
Rwork	0.195
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.266	49.270	2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.093	0.028	1.110
Number of reflections	26383	488	3567
<I/σ(I)>	9.23	31	0.99
Completeness [%]	82.4	75.4	83.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20.0000% polyethylene glycol 3000, 0.1M citric acid pH 5.5, Additive: 0.001 M Ubiquinone, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K