1LJU
X-RAY STRUCTURE OF C15A ARSENATE REDUCTASE FROM PI258 COMPLEXED WITH ARSENITE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.970, 37.830, 106.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.400 |
| R-factor | 0.26 |
| Rwork | 0.241 |
| R-free | 0.25800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | STRUCTURE OF OXIDISED PI258 ARSC (PDB ENTRY 1JFV) |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.730 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.052 * | 0.239 * |
| Total number of observations | 188689 * | |
| Number of reflections | 27888 * | |
| <I/σ(I)> | 34 | 6.7 |
| Completeness [%] | 94.8 | 99.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8 * | 293 | PEG4000, TRIS, KCl, pH 8.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | Tris-HCl | 20 (mM) | pH8.0 |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 2 | arsenite | 10 (mM) |
