5VTK
Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-13 |
| Detector | APEX II CCD |
| Wavelength(s) | 0.72 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 47.629, 47.629, 60.741 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.120 - 1.990 |
| R-factor | 0.1625 |
| Rwork | 0.157 |
| R-free | 0.22098 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vtj |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.860 |
| Data reduction software | XPREP |
| Data scaling software | XPREP |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.120 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 3112 | 126 |
| <I/σ(I)> | 38.41 | 11.27 |
| Completeness [%] | 99.7 | 97.7 |
| Redundancy | 40.8 | 24.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M HEPES, pH 7.5, 4.3 M sodium chloride (Hampton CSII #36), crystal grew after ~6 months, treated with 4:1 (CS2 #36):glycerol prior to freezing in cryostream |
