1NWL
Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 178 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.080 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.721, 88.721, 104.998 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.21034 |
| Rwork | 0.208 |
| R-free | 0.24500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.920 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.400 | 2.400 * |
| Rmerge | 0.054 * | 0.175 * |
| Number of reflections | 18095 | |
| Completeness [%] | 98.1 * | 98.1 * |
| Redundancy | 2.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 4 * | PEG 4000, magnesium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 15 (%) | |
| 2 | 1 | reservoir | HEPES | 10 (mM) | pH7.4 |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | water | 50000 (nm) |
