1G8F
ATP SULFURYLASE FROM S. CEREVISIAE
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] | 90 |
| Detector technology | CCD |
| Collection date | 2000-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.042 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 187.094, 187.094, 115.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.680 - 1.950 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23100 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CCP4 |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.051 * | 0.280 * |
| Number of reflections | 55315 | |
| <I/σ(I)> | 9.3 | 2.7 |
| Completeness [%] | 98.3 | 98.6 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | 500 mM Sodium acetate, 50 mM HEPES, 25 mM Cadmium sulfate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
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) |
