1LQF
Structure of PTP1b in Complex with a Peptidic Bisphosphonate Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-12-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.866, 154.421, 64.598 |
| Unit cell angles | 90.00, 94.56, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pty |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.500 * |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.121 * | 0.380 * |
| Total number of observations | 176274 * | |
| Number of reflections | 61097 | 9039 * |
| <I/σ(I)> | 6 | 1.5 |
| Completeness [%] | 96.9 | 86.4 |
| Redundancy | 2.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 4 * | Peg 4000, propanol, citrate, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 284K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.0 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | DMH | 2 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 14 (%) | |
| 7 | 1 | reservoir | propanol | 10 (%) | |
| 8 | 1 | reservoir | citrate | 100 (mM) | pH5.9 |
