7KEY
Protein Tyrosine Phosphatase 1B, Apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979290 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.353, 88.353, 104.744 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.520 - 1.771 |
| R-factor | 0.1993 |
| Rwork | 0.199 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cm8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS (Jan 31, 2020) |
| Data scaling software | autoPROC (1.0.5) |
| Phasing software | EPMR |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.520 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.057 | 1.135 |
| Rmeas | 0.063 | |
| Rpim | 0.026 | 0.521 |
| Number of reflections | 46472 | 2333 |
| <I/σ(I)> | 24 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.1 | 11.1 |
| CC(1/2) | 1.000 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 12% PEG 3350, 100 mM magnesium acetate, 3% ethanol |
