4ROJ
Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated 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 | 2014-01-29 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 99.764, 99.764, 160.946 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.060 - 1.950 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bmb |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.681 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.060 | 38.060 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.092 | 0.010 | 0.010 |
| Total number of observations | 6971 | 50334 | |
| Number of reflections | 35154 | ||
| <I/σ(I)> | 25.9 | 60.3 | 3.9 |
| Completeness [%] | 99.9 | 98.8 | 99.4 |
| Redundancy | 20.7 | 15.3 | 20.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG550-MME, 0.1 M ammonium sulfate, 0.1 M cacodylate pH 6.5, vapor diffusion, sitting drop, temperature 293K |
