3WH0
Structure of Pin1 Complex with 18-crown-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2012-10-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.474, 68.474, 80.215 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.390 - 1.600 |
| R-factor | 0.21164 |
| Rwork | 0.210 |
| R-free | 0.24725 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.720 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 29138 |
| <I/σ(I)> | 55.3 |
| Completeness [%] | 99.8 |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 2.0-2.5M ammonium sulfate, 0.1M HEPES (pH 7.5), 1mM DTT, 25mM crown ether, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
