5C4P
Crystal structure of ArsI C-As lyase solved by Ni-SAD phasing
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.47899 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.843, 42.843, 118.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.280 - 1.970 |
| R-factor | 0.20779 |
| Rwork | 0.205 |
| R-free | 0.26454 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.076 | 0.297 |
| Number of reflections | 8156 | |
| <I/σ(I)> | 27.5 | 5.2 |
| Completeness [%] | 97.3 | 78.9 |
| Redundancy | 20.6 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000, 0.2 M Calcium acetate, 0.1 M Tris-HCl |
