5YJ8
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9774 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 50.974, 50.974, 42.087 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.462 - 1.762 |
R-factor | 0.1906 |
Rwork | 0.187 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pmt |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.790 |
High resolution limit [Å] | 1.760 | 4.770 | 1.760 |
Rmerge | 0.076 | 0.055 | 0.504 |
Rmeas | 0.078 | 0.057 | 0.520 |
Rpim | 0.018 | 0.014 | 0.127 |
Total number of observations | 123251 | ||
Number of reflections | 6495 | 374 | 295 |
<I/σ(I)> | 4.5 | ||
Completeness [%] | 99.4 | 100 | 96.1 |
Redundancy | 19 | 17.4 | 15.7 |
CC(1/2) | 0.991 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate, pH 4.6 |