4FSD

ArsM arsenic(III) S-adenosylmethionine methyltransferase with As(III)

Replaces:  3QNH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	85.246, 46.762, 100.528
Unit cell angles	90.00, 114.33, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.20155
Rwork	0.199
R-free	0.23941
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fs8
RMSD bond length	0.012
RMSD bond angle	1.489
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge		0.049	0.510
Number of reflections	35321
<I/σ(I)>		27.52	2.56
Completeness [%]	96.8	99.1	88.2
Redundancy	6.2	6.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	293	20% PEG 3000 0.2 M Calcium Acetate 0.1 M Tris-Hcl pH 7.0, 2mM As(III), EVAPORATION, temperature 293K