1JF8
X-ray structure of reduced C10S, C15A arsenate reductase from pI258
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 | IMAGE PLATE |
| Collection date | 2000-02-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.900, 34.200, 99.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 - 1.120 |
| R-factor | 0.185 * |
| Rwork | 0.208 |
| R-free | 0.21800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | structure of oxidised pI258 ArsC |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.960 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 1.160 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.039 | 0.359 |
| Total number of observations | 299466 * | |
| Number of reflections | 44496 | |
| <I/σ(I)> | 20.7 | 2.4 |
| Completeness [%] | 98.3 | 95.8 |
| Redundancy | 6.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Peg4000, Tris, potassium chloride, sodium arsenite, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 2 | 1 | reservoir | PEG4000 | 45 (%(w/v)) |
