3ZMP
Src-derived peptide inhibitor complex of PTP1B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.820, 88.070, 91.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.616 - 2.619 |
| R-factor | 0.2228 |
| Rwork | 0.220 |
| R-free | 0.27070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a5k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.337 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.760 |
| High resolution limit [Å] | 2.380 | 2.620 |
| Rmerge | 0.190 | 0.380 |
| Number of reflections | 17923 | |
| <I/σ(I)> | 10.74 | 4.9 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 12 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M MGCL2, 27.14W/V% PEG3350, 0.1M HEPES, PH=7.5 |
