6MXY
Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.6299 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 60.570, 60.570, 138.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.480 - 1.624 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g3r |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.463 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.480 | 1.682 |
| High resolution limit [Å] | 1.624 | 1.624 |
| Rmerge | 0.074 | 0.741 |
| Rmeas | 0.077 | 0.792 |
| Rpim | 0.022 | 0.275 |
| Number of reflections | 37788 | 3659 |
| <I/σ(I)> | 30.61 | 2.7 |
| Completeness [%] | 99.7 | 97.97 |
| Redundancy | 11.2 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 0.1 M sodium citrate tribasic, pH 5.6; 1M ammonium phosphate monobasic |
