5VTJ
Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC
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 | 2013-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 47.332, 47.332, 38.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.470 - 1.500 |
| R-factor | 0.19181 |
| Rwork | 0.185 |
| R-free | 0.25265 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gwt |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.746 |
| 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] | 47.330 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 0.008 | 0.363 |
| Number of reflections | 7363 | 1038 |
| <I/σ(I)> | 43.3 | 2.4 |
| Completeness [%] | 99.1 | 98.6 |
| Redundancy | 27.9 | 28.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M sodium acetate, pH 4.5, 2.0 M ammonium sulfate (Hampton Index #2), cryoprotection: 4:1 Index #2:glycerol |
