1JEC
Crystal Structure of ATP Sulfurylase in complex with thiosulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.542 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 186.688, 186.688, 115.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.340 - 2.500 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.530 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.437 |
| Number of reflections | 26794 | |
| <I/σ(I)> | 7.6 | 1.7 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | Ullrich, T.C., (2001) EMBO J., 20, 316. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | 1 (mM) | ||
| 5 | 1 | reservoir | 0.5 (M) | ||
| 6 | 1 | reservoir | HEPES | 50 (mM) | |
| 7 | 1 | reservoir | 25 (mM) |
