1JF7
HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177836
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.595, 88.266, 65.786 |
| Unit cell angles | 90.00, 107.38, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.200 |
| R-factor | 0.20607 |
| Rwork | 0.203 |
| R-free | 0.26751 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ptv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.807 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.042 | 0.177 |
| Total number of observations | 537079 * | |
| Number of reflections | 33693 * | |
| <I/σ(I)> | 19.3 | |
| Completeness [%] | 95.4 | 89.9 |
| Redundancy | 3.3 | 2.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | PEG6000, ammonium sulphate, glycerol, Hepes, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 10 | 1 | reservoir | glycerol | 12 (%) | |
| 2 | 1 | drop | Tris | 25 (mM) | pH7.5 |
| 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 | PEG6000 | 14-20 (%) | |
| 8 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 9 | 1 | reservoir | HEPES | 0.1 (M) | pH8.0 |
