5KE3
Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-28 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.300, 63.342, 69.187 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.720 - 1.700 |
R-factor | 0.1941 |
Rwork | 0.193 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dlm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.311 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.062 | 0.038 | 0.962 |
Rmeas | 0.065 | ||
Rpim | 0.025 | ||
Total number of observations | 182110 | ||
Number of reflections | 26933 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 99.9 | 97.8 | 100 |
Redundancy | 6.8 | 6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 295 | 25% PEG 3350, 0.2M LiSO4, 0.1M Bis-Tris pH6.5 |