1J97
Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.836, 69.829, 91.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.500 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 0.248 |
| Total number of observations | 288900 * | |
| Number of reflections | 67186 | |
| <I/σ(I)> | 16 | 3.3 |
| Completeness [%] | 93.8 | 86.5 |
| Redundancy | 4.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 54 (mg/ml) | |
| 10 | 1 | reservoir | sodium phosphate dihydrate | 0.2 (M) | |
| 11 | 1 | reservoir | PEG2000 MME | 22 (%) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 0.3 (M) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | dithiothreitol | 10 (mM) | |
| 6 | 1 | drop | 54 (mM) | ||
| 7 | 1 | drop | 10.8 (mM) | ||
| 8 | 1 | drop | 90 (mM) | ||
| 9 | 1 | reservoir | sodium acetate | 0.1 (M) |
