1NWE
Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-03-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.052, 88.052, 117.594 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 3.100 |
| R-factor | 0.28401 |
| Rwork | 0.283 |
| R-free | 0.30544 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | native PTP-1B |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.954 |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.187 | 0.397 |
| Number of reflections | 9867 | |
| <I/σ(I)> | 5.8 | 2.6 |
| Completeness [%] | 94.2 | 94 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | PEG 8k, HEPES, MgOAc, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
