1JHD
Crystal Structure of Bacterial ATP Sulfurylase from the Riftia pachyptila Symbiont
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.91970 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.561, 75.546, 95.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.780 - 1.700 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.20500 |
| Structure solution method | MAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.036 | 0.163 |
| Number of reflections | 46914 | |
| <I/σ(I)> | 15.3 | 5.3 |
| Completeness [%] | 95.1 | 71.7 |
| Redundancy | 3.15 | 1.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | HEPES, 2.3M Ammonium Sulfate, 2% PEG 400, 100mM NaBr, pH 7.5, VAPOR DIFFUSION, HANGING DROP at 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.3 (M) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | PEG400 | 2 (%) | |
| 5 | 1 | reservoir | sodium HEPES | 100 (mM) | pH7.5 |
