4FS8
The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation
Replaces: 3P7EExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.750, 47.198, 101.677 |
Unit cell angles | 90.00, 115.67, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.780 |
R-factor | 0.17843 |
Rwork | 0.177 |
R-free | 0.20493 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.497 |
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 | 2.224 | 1.840 |
High resolution limit [Å] | 1.780 | 2.110 | 1.780 |
Rmerge | 0.034 | ||
Number of reflections | 33151 | ||
Completeness [%] | 99.9 | ||
Redundancy | 4.4 | 4.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 293 | 18% polyethylene glycol 3350, 0.2 M calcium acetate and 0.1 M Tris-HCl pH 7.0, EVAPORATION, temperature 293K |