1Q6N
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 4
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 | 1999-06-11 |
| Detector | BRUKER |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.878, 88.409, 139.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| Rwork | 0.208 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1pty |
| RMSD bond length | 0.014 |
| RMSD bond angle | 23.100 * |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.084 * | 0.382 * |
| Number of reflections | 61938 | 10233 * |
| <I/σ(I)> | 10.1 | 2.5 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 * | 4 * | PEG 3350, MGCL2, HEPES, pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | DMH | 5 (mM) | |
| 4 | 1 | drop | EDTA | 0.2 (mM) | |
| 5 | 1 | drop | 25 (mM) | pH7.6 | |
| 6 | 1 | reservoir | PEG4000 | 12-18 (%) | |
| 7 | 1 | reservoir | 200 (mM) | ||
| 8 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
