3KWP

Crystal structure of putative methyltransferase from Lactobacillus brevis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97942
Spacegroup name	P 21 21 2
Unit cell lengths	64.275, 79.206, 54.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.290
R-factor	0.21988
Rwork	0.216
R-free	0.28789
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.606
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.290	2.300
Rmerge	0.081	0.487
Number of reflections	12839
<I/σ(I)>	35.3	5.36
Completeness [%]	99.9	100
Redundancy	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	0.1 m Tris pH 8.5, 0.2M MgCl2, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	8.5	297	0.1 m Tris pH 8.5, 0.2M MgCl2, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 297K