3NTP
Human Pin1 complexed with reduced amide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.847, 68.847, 79.782 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.061 - 1.762 |
| R-factor | 0.2328 |
| Rwork | 0.231 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tik |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.248 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 21065 | |
| <I/σ(I)> | 45.5 | 2.5 |
| Completeness [%] | 94.9 | 58.6 |
| Redundancy | 9.1 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
