2QE6

CRYSTAL STRUCTURE OF A PUTATIVE METHYLTRANSFERASE (TFU_2867) FROM THERMOBIFIDA FUSCA YX AT 1.95 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	2007-06-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97917, 0.97894
Spacegroup name	P 21 21 2
Unit cell lengths	102.627, 76.024, 81.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.386 - 1.950
R-factor	0.173
Rwork	0.171
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.707
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.386	29.386	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.081	0.038	0.575
Total number of observations		1860	12026
Number of reflections	47006
<I/σ(I)>	7.2	13.6	1.3
Completeness [%]	99.8	96.8	99.4
Redundancy	3.6	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 70.0% MPD, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K