1C86
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B (R47V,D48N) COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.274, 88.274, 104.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.300 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.840 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.087 * | 0.418 * |
| Number of reflections | 21105 | |
| <I/σ(I)> | 21.8 | 3 |
| Completeness [%] | 98.5 | 97.2 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | drop | EDTA | 0.2 (mM) | |
| 5 | 1 | drop | dithiothreitol | 3 (mM) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | |
| 7 | 1 | reservoir | sodium acetate | 0.2-0.4 (M) | or magnesium acetate |
| 8 | 1 | reservoir | PEG8000 | 12-16 (%) | and/or 4%(v/v) glycerol |
