5JX7
Cysteine mutant (C224A) structure of As (III) S-adenosyl methyltransferase
Experimental 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 | 2013-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.310, 47.590, 100.714 |
| Unit cell angles | 90.00, 113.83, 90.00 |
Refinement procedure
| Resolution | 38.390 - 2.300 |
| R-factor | 0.1874 |
| Rwork | 0.184 |
| R-free | 0.24623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fs8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.690 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.630 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 16437 | |
| <I/σ(I)> | 17.4 | 8.7 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 3.4 | 3.5 |
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 |
