1AAX
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 140 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-02 |
| Detector | FUJI |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.369, 88.369, 104.532 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.000 - 1.900 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2hnq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.850 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.267 |
| Total number of observations | 138889 * | |
| Number of reflections | 31197 | 2558 * |
| <I/σ(I)> | 24.7 | 2.9 |
| Completeness [%] | 82.1 | 69.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 10 | 1 | reservoir | HEPES | 0.1 (mM) | |
| 11 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 12 | 1 | reservoir | PEG8000 | 12-14 (%(w/v)) | |
| 2 | 1 | drop | Tris-HCl | 5 (mM) | |
| 3 | 1 | drop | 12.5 (mM) | ||
| 4 | 1 | drop | EDTA | 0.1 (mM) | |
| 5 | 1 | drop | dithiothreitol | 1.5 (mM) | |
| 6 | 1 | drop | BPPM | 1.7 (mM) | |
| 7 | 1 | drop | HEPES | 0.05 (mM) | |
| 8 | 1 | drop | magnesium acetate | 0.1 (M) | |
| 9 | 1 | drop | PEG8000 | 6-7 (%(w/v)) |
