4U85
Human Pin1 with cysteine sulfinic acid 113
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.774, 68.774, 79.599 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.20486 |
| Rwork | 0.203 |
| R-free | 0.24479 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.492 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.490 | |
| Number of reflections | 24448 | |
| <I/σ(I)> | 26.1 | 1.77 |
| Completeness [%] | 99.1 | 91.5 |
| Redundancy | 5.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 50mM HEPES pH 7.5 1% PEG400 1.2-1.5M Ammonium sulfate |
