1G7F
HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177496
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 | 1997-10-27 |
| Detector | SIEMENS |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.740, 83.820, 88.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.188 |
| Rwork | 0.180 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ptv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.024 |
| Data reduction software | SMART |
| Data scaling software | SAINT |
| Phasing software | MERLOT |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | 0.348 |
| Total number of observations | 643419 * | |
| Number of reflections | 36586 | |
| <I/σ(I)> | 18.2 | |
| Completeness [%] | 97.3 | 97 * |
| Redundancy | 5.79 | 5.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | PEG8000, magnesium acetate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris | 25 (mM) | |
| 3 | 1 | drop | 0.3 (M) | ||
| 4 | 1 | drop | dithiothreitol | 3 (mM) | |
| 5 | 1 | drop | EDTA | 5 (mM) | |
| 6 | 1 | drop | inhibitor | 5 (mM) | |
| 7 | 1 | reservoir | PEG8000 | 14-20 (%) | |
| 8 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 9 | 1 | reservoir | cacodylate | 0.1 (M) |
