1BZC
HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.470, 88.470, 104.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.000 - 2.350 |
| R-factor | 0.204 * |
| Rwork | 0.204 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hnp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.033 | 0.089 |
| Total number of observations | 65906 * | |
| Number of reflections | 18772 * | |
| <I/σ(I)> | 16.8 | 8.2 |
| Completeness [%] | 94.4 | 93.8 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 * | 4 * | Barfoed, D., (1994) J. Mol. Biol., 239, 726. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | |
| 3 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 4 | 1 | reservoir | PEG8000 | 12-16 (%(w/v)) |
