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 |
