5VTI
Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 48.173, 48.173, 37.214 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.060 - 1.800 |
| R-factor | 0.235 |
| Rwork | 0.231 |
| R-free | 0.27491 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gwt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.710 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.170 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.015 | 0.360 |
| Number of reflections | 4398 | 617 |
| <I/σ(I)> | 25.1 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 26.4 | 28.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris, pH 8.5, 3.0 M sodium chloride (Hampton Index #12), cryoprotection: dragged through Paratone-N prior to freezing |
