3F4K

Crystal structure of a probable methyltransferase from Bacteroides thetaiotaomicron. Northeast Structural Genomics target BtR309.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-02
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	60.335, 60.335, 145.145
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.410 - 2.300
R-factor	0.211
Rwork	0.211
R-free	0.24400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.308
Number of reflections	26321
<I/σ(I)>	15	9.8
Completeness [%]	100.0	100
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	170mM Ammonium Acetate, 85mM Na Citrate pH 5.6, 15% glycerol, 25.5% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	170mM Ammonium Acetate, 85mM Na Citrate pH 5.6, 15% glycerol, 25.5% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K