6CX6

The structure of an As(III) S-adenosylmethionine methyltransferase with As(III) and S-adenosyl-L-homocysteine (SAH)

Replaces:  5JWN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 42 2 2
Unit cell lengths	101.797, 101.797, 175.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.870 - 2.840
R-factor	0.21878
Rwork	0.215
R-free	0.29122
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fs8
RMSD bond length	0.011
RMSD bond angle	1.654
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.940
High resolution limit [Å]	2.840	2.840
Rpim	0.028	0.160
Number of reflections	22216	2058
<I/σ(I)>	22	2.8
Completeness [%]	99.4	95.7
Redundancy	18.7	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.4 M potassium phosphate dibasic, 0.4 M sodium phosphate monobasic, 0.1 M imidazole, pH 8.0, 0.2 M sodium chloride