2AVN

CRYSTAL STRUCTURE OF A UBIQUINONE/MENAQUINONE BIOSYNTHESIS METHYLTRANSFERASE-RELATED PROTEIN (TM1389) FROM THERMOTOGA MARITIMA MSB8 AT 2.35 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97915
Spacegroup name	P 64 2 2
Unit cell lengths	130.475, 130.475, 192.926
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.800 - 2.350
Rwork	0.169
R-free	0.19900
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.459
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.800	29.860	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.183	0.066	0.981
Number of reflections	40826
<I/σ(I)>	3.4	8.7	0.7
Completeness [%]	99.6
Redundancy	9.8	10.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5	293	1.0M LiCl, 10.0% PEG-600, 0.1M Citrate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 5.0
2	VAPOR DIFFUSION,SITTING DROP,NANODROP	7	293	40.0% MPD, 0.1M HEPES, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 7.0