6MXZ
Structure of 53BP1 Tudor domains in complex with small molecule UNC3474
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 | 2015-03-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.6299 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.665, 160.708, 182.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.602 - 2.500 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g3r |
RMSD bond length | 0.002 |
RMSD bond angle | 0.531 |
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] | 17.602 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.045 | 0.436 |
Rmeas | 0.049 | 0.476 |
Rpim | 0.020 | 0.189 |
Number of reflections | 70459 | 5313 |
<I/σ(I)> | 20.55 | 2.38 |
Completeness [%] | 97.3 | 76.38 |
Redundancy | 6 | 6.1 |
CC(1/2) | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2 M sodium formate; 0.1 M bis-tris propane, pH 7.0 |