2ITK
human Pin1 bound to D-PEPTIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.727, 68.727, 79.957 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.190 - 1.450 |
| R-factor | 0.22304 |
| Rwork | 0.222 |
| R-free | 0.23526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pin |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.258 |
| Data reduction software | MOSFLM |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 37494 | |
| <I/σ(I)> | 41.2 | 2 |
| Completeness [%] | 95.3 | 84.4 |
| Redundancy | 4.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 2M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP |
