4ROF
Crystal Structure of WW3 domain of ITCH in complex with TXNIP peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-05-09 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.171, 55.312, 59.796 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.030 |
| R-factor | 0.2463 |
| Rwork | 0.239 |
| R-free | 0.29750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f21 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.351 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 5.510 | 2.030 |
| Rmerge | 0.103 | 0.056 | 0.997 |
| Number of reflections | 6898 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 99.9 | 99.3 | 99.7 |
| Redundancy | 6.5 | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M ammonium sulfate, 0.2 M sodium acetate, 0.1 M sodium cacodylate pH 5.5, vapor diffusion, sitting drop, temperature 293K |
