1I2D
CRYSTAL STRUCTURE OF ATP SULFURYLASE FROM PENICILLIUM CHRYSOGENUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-04-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 135.670, 162.090, 273.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.080 - 2.810 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24500 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| 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] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.064 | 0.354 |
| Total number of observations | 257680 * | |
| Number of reflections | 75367 | |
| <I/σ(I)> | 14 | 2.8 |
| Completeness [%] | 95.9 | 73 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | 1 M sodium citrate, 2% PEG 400, 100 mM Tris-Cl, 5 mM adenosine 5'-phosphosulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium citrate | 1.0 (M) | |
| 2 | 1 | reservoir | ethylene glycol | 2-4 (%) | |
| 3 | 1 | reservoir | APS | 5 (mM) | |
| 4 | 1 | reservoir | Tris-Cl | 100 (mM) |
