4IIO
Crystal Structure of the Second SH3 Domain of ITSN2 Bound with a Synthetic Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-09-13 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 48.053, 48.053, 112.435 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.860 - 1.700 |
| R-factor | 0.1951 |
| Rwork | 0.194 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j3t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.095 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.051 | 0.027 | 0.475 |
| Number of reflections | 16192 | ||
| <I/σ(I)> | 28.7 | ||
| Completeness [%] | 100.0 | 99.5 | 99.6 |
| Redundancy | 11.7 | 11.6 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 25% PEG 3350, 0.1 M (NH4)2SO4, and 0.1 M Tris 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
