1M8P
Crystal Structure of P. chrysogenum ATP Sulfurylase in the T-state
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 | 2001-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 135.449, 135.449, 234.587 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 * - 2.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i2d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.670 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.058 | 0.248 |
| Total number of observations | 391636 * | |
| Number of reflections | 77547 | 8436 * |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 99.2 | 98.5 |
| Redundancy | 5.1 | 3.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 22 * | PEG 8000, magnesium chloride, tris(hydroxymethyl)aminomethane, 3'-phosphoadenosine-5'-phosphosulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | ATP sulfurylase | 10 (mg/ml) | |
| 2 | 1 | drop | PAPS | 5 (mM) | |
| 3 | 1 | drop | EDTA | 0.2 (mM) | |
| 4 | 1 | drop | Tris | 10 (mM) | pH8.0 |
| 5 | 1 | reservoir | PEG8000 | 10-14 (%(w/v)) | |
| 6 | 1 | reservoir | 150-250 (mM) | ||
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |
