2FJA
adenosine 5'-phosphosulfate reductase in complex with substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.600, 113.500, 193.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| Rwork | 0.174 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 6.200 | 2.000 |
| Rmerge | 0.050 | 0.034 | 0.171 |
| Number of reflections | 101710 | ||
| Completeness [%] | 93.0 | 98.1 | 88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 277 | 6% PEG 4000, 0.1M NaCl, 0.1M NaAc pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
