1OEM
PTP1B with the catalytic cysteine oxidized to a sulfenyl-amide bond
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 88.218, 88.218, 103.787 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.700 - 1.800 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.22600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hnp |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.785 * |
| 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] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.800 |
| Rmerge | 0.039 | 0.355 |
| Total number of observations | 308523 * | |
| Number of reflections | 43606 | |
| <I/σ(I)> | 26.26 | 26.26 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 7.07 |
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) |
