4KW7
The structure of an As(III) S-adenosylmethionine methyltransferase with Phenylarsine oxide(PAO)
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 | 2012-03-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.095, 47.410, 100.375 |
| Unit cell angles | 90.00, 113.48, 90.00 |
Refinement procedure
| Resolution | 24.560 - 1.800 |
| R-factor | 0.20526 |
| Rwork | 0.203 |
| R-free | 0.25365 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fs8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.525 |
| Number of reflections | 33659 | |
| Completeness [%] | 98.2 | 96.8 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 18% polyethylene glycol 3350, 0.2 M calcium acetate and 0.1 M Tris-HCl pH 7.0, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
