4RG2
Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.548, 100.458, 83.348 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.1977 |
| Rwork | 0.197 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g3r |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.339 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.049 | 0.031 | 0.670 |
| Number of reflections | 48740 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 98.1 | 98.6 | 82.9 |
| Redundancy | 7.8 | 7.5 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 19% PEG3350, 0.15 M DL-malic acid, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
