1OEO
PTP1B with the catalytic cysteine oxidized to sulfonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.365, 88.365, 104.764 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.700 - 2.150 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hnp |
| RMSD bond length | 0.026 * |
| RMSD bond angle | 1.894 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.071 | 0.332 |
| Total number of observations | 183671 * | |
| Number of reflections | 26299 | |
| <I/σ(I)> | 25.68 | 3.97 |
| Completeness [%] | 98.1 | 96.7 |
| Redundancy | 6.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 20 * | Barford, D., (1994) Science, 263, 1397. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | HEPES | 0.1 (M) | |
| 2 | 1 | 1 | magnesium acetate | 0.2 (M) | |
| 3 | 1 | 1 | PEG8000 | 14 (%(w/v)) | |
| 4 | 1 | 1 | protein | 10 (mg/ml) |
