3SVZ

Crystal structure of apo BT_2972, a methyltransferase from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-04
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	60.547, 74.375, 117.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.900
R-factor	0.2692
Rwork	0.200
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f4k
RMSD bond length	0.008
RMSD bond angle	1.172
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	11731
<I/σ(I)>	10.6	3.5
Completeness [%]	95.8	91
Redundancy	8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.12M Magnesium acetate and 16% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K